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

C25H54N8O12 — CID 23551194

IUPAC2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopentanediamide;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESCC(C)[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(N)=O.NCC(=O)O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H11N3O2.C5H9NO2.2C5H11NO2.C3H7NO2.C2H5NO2/c6-3(5(8)10)1-2-4(7)9;7-5(8)4-2-1-3-6-4;2*1-3(2)4(6)5(7)8;1-2(4)3(5)6;3-1-2(4)5/h3H,1-2,6H2,(H2,7,9)(H2,8,10);4,6H,1-3H2,(H,7,8);2*3-4H,6H2,1-2H3,(H,7,8);2H,4H2,1H3,(H,5,6);1,3H2,(H,4,5)/t3-;3*4-;2-;/m00000./s1
InChIKeyNSQWLHNEHIXUFS-YCAMMXLUSA-N
MW658.75 g/mol
LogP-3.56
Rot. Bonds11

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

2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopentanediamide;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 23551194) has the molecular formula C25H54N8O12 and a molecular weight of 658.75 g/mol. Its IUPAC name is 2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopentanediamide;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopentanediamide;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID23551194
Molecular FormulaC25H54N8O12
Molecular Weight658.75 g/mol
Exact Mass658.39
IUPAC Name2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopentanediamide;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESCC(C)[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(N)=O.NCC(=O)O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H11N3O2.C5H9NO2.2C5H11NO2.C3H7NO2.C2H5NO2/c6-3(5(8)10)1-2-4(7)9;7-5(8)4-2-1-3-6-4;2*1-3(2)4(6)5(7)8;1-2(4)3(5)6;3-1-2(4)5/h3H,1-2,6H2,(H2,7,9)(H2,8,10);4,6H,1-3H2,(H,7,8);2*3-4H,6H2,1-2H3,(H,7,8);2H,4H2,1H3,(H,5,6);1,3H2,(H,4,5)/t3-;3*4-;2-;/m00000./s1
InChIKeyNSQWLHNEHIXUFS-YCAMMXLUSA-N
XLogP-3.56
TPSA414.81 Ų
H-Bond Donors13
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500658.75
LogP ≤ 5-3.56
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1013

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-aminoacetic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23551169
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;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174509456
2-aminoacetic acid;2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174464534
tris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23551207
bis(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 68976268
2-aminoacetic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2,4-diamino-4-oxobutanoic acid;2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174852664
2,5-diamino-5-oxopentanoic acid;pyrrolidine-2-carboxylic acid
CID 22268904
2-amino-3-methylbutanoic acid;pyrrolidine-2-carboxylic acid
CID 22457430
(2S)-2-acetamido-3-methylbutanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23551163
(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 22825802
2-aminoacetic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 160916856

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopentanediamide;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopentanediamide;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 23551194) is 2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopentanediamide;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopentanediamide;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopentanediamide;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid is CC(C)[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.C[C@H](N)C(=O)O.NC(=O)CC[C@H](N)C(N)=O.NCC(=O)O.O=C(O)[C@@H]1CCCN1.
What is the InChIKey of 2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopentanediamide;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is NSQWLHNEHIXUFS-YCAMMXLUSA-N. The full InChI is InChI=1S/C5H11N3O2.C5H9NO2.2C5H11NO2.C3H7NO2.C2H5NO2/c6-3(5(8)10)1-2-4(7)9;7-5(8)4-2-1-3-6-4;2*1-3(2)4(6)5(7)8;1-2(4)3(5)6;3-1-2(4)5/h3H,1-2,6H2,(H2,7,9)(H2,8,10);4,6H,1-3H2,(H,7,8);2*3-4H,6H2,1-2H3,(H,7,8);2H,4H2,1H3,(H,5,6);1,3H2,(H,4,5)/t3-;3*4-;2-;/m00000./s1.
What are the key properties of 2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopentanediamide;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopentanediamide;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 658.75 g/mol, XLogP of -3.56, 11 rotatable bonds, 13 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;bis((2S)-2-amino-3-methylbutanoic acid);(2S)-2-aminopentanediamide;(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 23551194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).