3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid

C13H14N2O4 — CID 43171666

IUPAC3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid
SMILESCn1cc(C(=O)NC(CO)C(=O)O)c2ccccc21
InChIInChI=1S/C13H14N2O4/c1-15-6-9(8-4-2-3-5-11(8)15)12(17)14-10(7-16)13(18)19/h2-6,10,16H,7H2,1H3,(H,14,17)(H,18,19)
InChIKeyVGGDMLCCXUEBDD-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.35
Rot. Bonds4

About 3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid

3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid (PubChem CID 43171666) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid
PubChem CID43171666
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid
SMILESCn1cc(C(=O)NC(CO)C(=O)O)c2ccccc21
InChIInChI=1S/C13H14N2O4/c1-15-6-9(8-4-2-3-5-11(8)15)12(17)14-10(7-16)13(18)19/h2-6,10,16H,7H2,1H3,(H,14,17)(H,18,19)
InChIKeyVGGDMLCCXUEBDD-UHFFFAOYSA-N
XLogP0.35
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide
CID 93033635
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
N-[2-(dimethylamino)-1-phenylethyl]-1-methylindole-3-carboxamide
CID 24504351
methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate
CID 47337364
1-methyl-N-phenylindole-3-carboxamide
CID 9038340
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylindole-3-carboxamide
CID 107845947
1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide
CID 9227848
methyl (2S)-3-methyl-2-[(1-methylindole-3-carbonyl)amino]butanoate
CID 51681664
N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide
CID 107362608
N-[(1S)-1-(2-bromophenyl)ethyl]-1-methylindole-3-carboxamide
CID 9152128
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 9181387
1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]indole-3-carboxamide
CID 103741487

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid (CID 43171666) is 3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid is Cn1cc(C(=O)NC(CO)C(=O)O)c2ccccc21.
What is the InChIKey of 3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid?
The InChIKey is VGGDMLCCXUEBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-15-6-9(8-4-2-3-5-11(8)15)12(17)14-10(7-16)13(18)19/h2-6,10,16H,7H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid?
3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid has a molecular weight of 262.27 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43171666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).