Name: Name:1-[(tert-butoxy)carbonyl]-3-(prop-2-yn-1-yl)pyrrolidine-3-carboxylic acid
Brand: Angene
SKU: AG01EMSX
Rating: 90 (10 reviews)

1-[(tert-butoxy)carbonyl]-3-(prop-2-yn-1-yl)pyrrolidine-3-carboxylic acid

CAS No.:

1505359-06-7

Catalog Number:

AG01EMSX

Molecular Formula:

C13H19NO4

Molecular Weight:

253.2943

Catalog Number:

AG01EMSX

Chemical Name:

1-[(tert-butoxy)carbonyl]-3-(prop-2-yn-1-yl)pyrrolidine-3-carboxylic acid

CAS Number:

1505359-06-7

Molecular Formula:

C13H19NO4

Molecular Weight:

253.2943

MDL Number:

MFCD22348238

IUPAC Name:

1-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-ynylpyrrolidine-3-carboxylic acid

InChI:

InChI=1S/C13H19NO4/c1-5-6-13(10(15)16)7-8-14(9-13)11(17)18-12(2,3)4/h1H,6-9H2,2-4H3,(H,15,16)

InChI Key:

FZKVLWPUMSSMNN-UHFFFAOYSA-N

SMILES:

C#CCC1(CCN(C1)C(=O)OC(C)(C)C)C(=O)O

Complexity:

401

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.298g/mol

Monoisotopic Mass:

253.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2