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

C14H16N2O3 — CID 62818979

IUPAC2-[1H-indole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
SMILESCN(C(=O)c1c[nH]c2ccccc12)C(C)(C)C(=O)O
InChIInChI=1S/C14H16N2O3/c1-14(2,13(18)19)16(3)12(17)10-8-15-11-7-5-4-6-9(10)11/h4-8,15H,1-3H3,(H,18,19)
InChIKeyIFSNVTBCTDOMPS-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.10
Rot. Bonds3

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

2-[1H-indole-3-carbonyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 62818979) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[1H-indole-3-carbonyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1H-indole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
PubChem CID62818979
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[1H-indole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
SMILESCN(C(=O)c1c[nH]c2ccccc12)C(C)(C)C(=O)O
InChIInChI=1S/C14H16N2O3/c1-14(2,13(18)19)16(3)12(17)10-8-15-11-7-5-4-6-9(10)11/h4-8,15H,1-3H3,(H,18,19)
InChIKeyIFSNVTBCTDOMPS-UHFFFAOYSA-N
XLogP2.10
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methoxy-N-methyl-1H-indole-3-carboxamide
CID 23299589
N-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide
CID 61381226
N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide
CID 60891221
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
2-(1H-indol-3-yl)-2-methylpropanedioic acid
CID 70075508
5-(1H-indol-3-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 55156722
ethane;1-(1H-indol-3-yl)propane-1,2-dione
CID 90885148
ethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
CID 91288381
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 47406128
3-[1H-indole-3-carbonyl(propan-2-yl)amino]propanoic acid
CID 60830552
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
benzene;2-(dimethylamino)-3-(1H-indol-3-yl)-2-methylpropanoic acid
CID 174391418

Frequently Asked Questions

What is the IUPAC name of 2-[1H-indole-3-carbonyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[1H-indole-3-carbonyl(methyl)amino]-2-methylpropanoic acid (CID 62818979) is 2-[1H-indole-3-carbonyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1H-indole-3-carbonyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[1H-indole-3-carbonyl(methyl)amino]-2-methylpropanoic acid is CN(C(=O)c1c[nH]c2ccccc12)C(C)(C)C(=O)O.
What is the InChIKey of 2-[1H-indole-3-carbonyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is IFSNVTBCTDOMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-14(2,13(18)19)16(3)12(17)10-8-15-11-7-5-4-6-9(10)11/h4-8,15H,1-3H3,(H,18,19).
What are the key properties of 2-[1H-indole-3-carbonyl(methyl)amino]-2-methylpropanoic acid?
2-[1H-indole-3-carbonyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-indole-3-carbonyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62818979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).