3-(1H-indole-2-carbonylamino)-2-methoxypropanoic acid

C13H14N2O4 — CID 114144333

IUPAC3-(1H-indole-2-carbonylamino)-2-methoxypropanoic acid
SMILESCOC(CNC(=O)c1cc2ccccc2[nH]1)C(=O)O
InChIInChI=1S/C13H14N2O4/c1-19-11(13(17)18)7-14-12(16)10-6-8-4-2-3-5-9(8)15-10/h2-6,11,15H,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyMMRUBSZLMHJHTG-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.00
Rot. Bonds5

About 3-(1H-indole-2-carbonylamino)-2-methoxypropanoic acid

3-(1H-indole-2-carbonylamino)-2-methoxypropanoic acid (PubChem CID 114144333) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-(1H-indole-2-carbonylamino)-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-(1H-indole-2-carbonylamino)-2-methoxypropanoic acid
PubChem CID114144333
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name3-(1H-indole-2-carbonylamino)-2-methoxypropanoic acid
SMILESCOC(CNC(=O)c1cc2ccccc2[nH]1)C(=O)O
InChIInChI=1S/C13H14N2O4/c1-19-11(13(17)18)7-14-12(16)10-6-8-4-2-3-5-9(8)15-10/h2-6,11,15H,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyMMRUBSZLMHJHTG-UHFFFAOYSA-N
XLogP1.00
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(furan-2-yl)-2-methoxyethyl]-1H-indole-2-carboxamide
CID 121145486
N-(2-hydroxy-3-phenylpropyl)-1H-indole-2-carboxamide
CID 71921555
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
2-methoxy-3-[(2-methyl-1H-indole-3-carbonyl)amino]propanoic acid
CID 106107981
3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid
CID 81370075
methyl 6-(1H-indole-2-carbonylamino)hexanoate
CID 43407298
N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide
CID 103082568
N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9270219
N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700
N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide
CID 115599717
N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9483409
N-[(1-methoxycyclobutyl)methyl]-1H-indole-2-carboxamide
CID 103993280

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indole-2-carbonylamino)-2-methoxypropanoic acid?
The IUPAC name of 3-(1H-indole-2-carbonylamino)-2-methoxypropanoic acid (CID 114144333) is 3-(1H-indole-2-carbonylamino)-2-methoxypropanoic acid.
What is the SMILES notation for 3-(1H-indole-2-carbonylamino)-2-methoxypropanoic acid?
The canonical SMILES for 3-(1H-indole-2-carbonylamino)-2-methoxypropanoic acid is COC(CNC(=O)c1cc2ccccc2[nH]1)C(=O)O.
What is the InChIKey of 3-(1H-indole-2-carbonylamino)-2-methoxypropanoic acid?
The InChIKey is MMRUBSZLMHJHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-19-11(13(17)18)7-14-12(16)10-6-8-4-2-3-5-9(8)15-10/h2-6,11,15H,7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 3-(1H-indole-2-carbonylamino)-2-methoxypropanoic acid?
3-(1H-indole-2-carbonylamino)-2-methoxypropanoic acid has a molecular weight of 262.27 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indole-2-carbonylamino)-2-methoxypropanoic acid is sourced from PubChem (CID 114144333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).