2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid

C15H32N4O8 — CID 23551169

IUPAC2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESCC(C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NCC(=O)O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H9NO2.C5H11NO2.C3H7NO2.C2H5NO2/c7-5(8)4-2-1-3-6-4;1-3(2)4(6)5(7)8;1-2(4)3(5)6;3-1-2(4)5/h4,6H,1-3H2,(H,7,8);3-4H,6H2,1-2H3,(H,7,8);2H,4H2,1H3,(H,5,6);1,3H2,(H,4,5)/t2*4-;2-;/m000./s1
InChIKeyBUMRPKYGLPNSJD-VCCCNDSCSA-N
MW396.44 g/mol
LogP-1.67
Rot. Bonds5

About 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid

2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 23551169) has the molecular formula C15H32N4O8 and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID23551169
Molecular FormulaC15H32N4O8
Molecular Weight396.44 g/mol
Exact Mass396.22
IUPAC Name2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESCC(C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NCC(=O)O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H9NO2.C5H11NO2.C3H7NO2.C2H5NO2/c7-5(8)4-2-1-3-6-4;1-3(2)4(6)5(7)8;1-2(4)3(5)6;3-1-2(4)5/h4,6H,1-3H2,(H,7,8);3-4H,6H2,1-2H3,(H,7,8);2H,4H2,1H3,(H,5,6);1,3H2,(H,4,5)/t2*4-;2-;/m000./s1
InChIKeyBUMRPKYGLPNSJD-VCCCNDSCSA-N
XLogP-1.67
TPSA239.29 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.44
LogP ≤ 5-1.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

2-aminoacetic acid;2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174464534
2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23531806
2-amino-3-methylbutanoic acid;pyrrolidine-2-carboxylic acid
CID 22457430
tris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23551207
2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopentanediamide;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23551194
bis(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 68976268
(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 22825802
2-amino-3-methylbutanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174509456
2-aminoacetic acid;bis(pyrrolidine-2-carboxylic acid)
CID 23506507
tris(2-aminoacetic acid);(2S)-2-aminopropanoic acid;(2S)-4-hydroxypyrrolidine-2-carboxylic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70541638
CID 67175874
CID 67175874
(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70259627

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 23551169) is 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid is CC(C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NCC(=O)O.O=C(O)[C@@H]1CCCN1.
What is the InChIKey of 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is BUMRPKYGLPNSJD-VCCCNDSCSA-N. The full InChI is InChI=1S/C5H9NO2.C5H11NO2.C3H7NO2.C2H5NO2/c7-5(8)4-2-1-3-6-4;1-3(2)4(6)5(7)8;1-2(4)3(5)6;3-1-2(4)5/h4,6H,1-3H2,(H,7,8);3-4H,6H2,1-2H3,(H,7,8);2H,4H2,1H3,(H,5,6);1,3H2,(H,4,5)/t2*4-;2-;/m000./s1.
What are the key properties of 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 396.44 g/mol, XLogP of -1.67, 5 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 23551169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).