2-methoxy-3-[(2-methyl-1H-indole-3-carbonyl)amino]propanoic acid

C14H16N2O4 — CID 106107981

IUPAC2-methoxy-3-[(2-methyl-1H-indole-3-carbonyl)amino]propanoic acid
SMILESCOC(CNC(=O)c1c(C)[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C14H16N2O4/c1-8-12(9-5-3-4-6-10(9)16-8)13(17)15-7-11(20-2)14(18)19/h3-6,11,16H,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyOTBQTVRLLUNXHK-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.31
Rot. Bonds5

About 2-methoxy-3-[(2-methyl-1H-indole-3-carbonyl)amino]propanoic acid

2-methoxy-3-[(2-methyl-1H-indole-3-carbonyl)amino]propanoic acid (PubChem CID 106107981) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-methoxy-3-[(2-methyl-1H-indole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[(2-methyl-1H-indole-3-carbonyl)amino]propanoic acid
PubChem CID106107981
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-methoxy-3-[(2-methyl-1H-indole-3-carbonyl)amino]propanoic acid
SMILESCOC(CNC(=O)c1c(C)[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C14H16N2O4/c1-8-12(9-5-3-4-6-10(9)16-8)13(17)15-7-11(20-2)14(18)19/h3-6,11,16H,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyOTBQTVRLLUNXHK-UHFFFAOYSA-N
XLogP1.31
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[(2-methyl-1H-indole-3-carbonyl)amino]butanoic acid
CID 81063960
3-[[(2-methyl-1H-indole-3-carbonyl)amino]methyl]pentanoic acid
CID 81066281
N-(cyclopropylmethyl)-2-methyl-1H-indole-3-carboxamide
CID 34829550
3-(1H-indole-2-carbonylamino)-2-methoxypropanoic acid
CID 114144333
N-(2-hydroxy-2-phenylpropyl)-2-methyl-1H-indole-3-carboxamide
CID 111825055
N-[(1S)-2-hydroxy-1-phenylethyl]-2-methyl-1H-indole-3-carboxamide
CID 110001950
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
N,2-dimethyl-1H-indole-3-carboxamide
CID 20800690
N-(2-bromoprop-2-enyl)-2-methyl-1H-indole-3-carboxamide
CID 47438912
2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid
CID 63930965
2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 106108095
2-methyl-N-phenylmethoxy-1H-indole-3-carboxamide
CID 32579620

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(2-methyl-1H-indole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[(2-methyl-1H-indole-3-carbonyl)amino]propanoic acid (CID 106107981) is 2-methoxy-3-[(2-methyl-1H-indole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[(2-methyl-1H-indole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[(2-methyl-1H-indole-3-carbonyl)amino]propanoic acid is COC(CNC(=O)c1c(C)[nH]c2ccccc12)C(=O)O.
What is the InChIKey of 2-methoxy-3-[(2-methyl-1H-indole-3-carbonyl)amino]propanoic acid?
The InChIKey is OTBQTVRLLUNXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8-12(9-5-3-4-6-10(9)16-8)13(17)15-7-11(20-2)14(18)19/h3-6,11,16H,7H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-methoxy-3-[(2-methyl-1H-indole-3-carbonyl)amino]propanoic acid?
2-methoxy-3-[(2-methyl-1H-indole-3-carbonyl)amino]propanoic acid has a molecular weight of 276.29 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(2-methyl-1H-indole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 106107981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).