3-[[carboxy(1H-pyrrol-2-yl)methyl]-methylamino]propanoic acid

C10H14N2O4 — CID 84748122

IUPAC3-[[carboxy(1H-pyrrol-2-yl)methyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(C(=O)O)c1ccc[nH]1
InChIInChI=1S/C10H14N2O4/c1-12(6-4-8(13)14)9(10(15)16)7-3-2-5-11-7/h2-3,5,9,11H,4,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyJVPBKQBNUNTRLN-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.55
Rot. Bonds6

About 3-[[carboxy(1H-pyrrol-2-yl)methyl]-methylamino]propanoic acid

3-[[carboxy(1H-pyrrol-2-yl)methyl]-methylamino]propanoic acid (PubChem CID 84748122) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-[[carboxy(1H-pyrrol-2-yl)methyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[carboxy(1H-pyrrol-2-yl)methyl]-methylamino]propanoic acid
PubChem CID84748122
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name3-[[carboxy(1H-pyrrol-2-yl)methyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(C(=O)O)c1ccc[nH]1
InChIInChI=1S/C10H14N2O4/c1-12(6-4-8(13)14)9(10(15)16)7-3-2-5-11-7/h2-3,5,9,11H,4,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyJVPBKQBNUNTRLN-UHFFFAOYSA-N
XLogP0.55
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[carboxy(1H-pyrrol-2-yl)methyl]-methylamino]propanoic 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-(N-methylanilino)-2-(1H-pyrrol-2-yl)acetic acid
CID 84748784
3-[[carboxy-(4-hydroxyphenyl)methyl]-methylamino]propanoic acid
CID 84750142
2-(N-ethylanilino)-2-(1H-pyrrol-2-yl)acetic acid
CID 84748788
3-[[carboxy(1H-pyrrol-2-yl)methyl]amino]propanoic acid
CID 84748110
(2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetic acid
CID 170443504
2-(carboxymethylamino)-2-(1H-pyrrol-2-yl)acetic acid
CID 84748073
2-[butyl(methyl)amino]-2-(1H-pyrrol-2-yl)ethanethioamide
CID 84749884
3-amino-N,N-dimethyl-3-(1H-pyrrol-2-yl)propanamide
CID 116850307
methyl 3-amino-3-(1H-pyrrol-2-yl)propanoate
CID 116940134
4-amino-3-methyl-4-(1H-pyrrol-2-yl)butanoic acid
CID 116938180
3-[2-carboxyethyl(methyl)amino]-4-oxo-4-phenylbutanoic acid
CID 82322284
2-pyrrol-1-yl-2-(1H-pyrrol-2-yl)acetic acid
CID 121210312

Frequently Asked Questions

What is the IUPAC name of 3-[[carboxy(1H-pyrrol-2-yl)methyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[carboxy(1H-pyrrol-2-yl)methyl]-methylamino]propanoic acid (CID 84748122) is 3-[[carboxy(1H-pyrrol-2-yl)methyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[carboxy(1H-pyrrol-2-yl)methyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[carboxy(1H-pyrrol-2-yl)methyl]-methylamino]propanoic acid is CN(CCC(=O)O)C(C(=O)O)c1ccc[nH]1.
What is the InChIKey of 3-[[carboxy(1H-pyrrol-2-yl)methyl]-methylamino]propanoic acid?
The InChIKey is JVPBKQBNUNTRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-12(6-4-8(13)14)9(10(15)16)7-3-2-5-11-7/h2-3,5,9,11H,4,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-[[carboxy(1H-pyrrol-2-yl)methyl]-methylamino]propanoic acid?
3-[[carboxy(1H-pyrrol-2-yl)methyl]-methylamino]propanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[carboxy(1H-pyrrol-2-yl)methyl]-methylamino]propanoic acid is sourced from PubChem (CID 84748122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).