2-(1H-indole-4-carbonylamino)-3,3-dimethylbutanoic acid

C15H18N2O3 — CID 43467273

IUPAC2-(1H-indole-4-carbonylamino)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)c1cccc2[nH]ccc12)C(=O)O
InChIInChI=1S/C15H18N2O3/c1-15(2,3)12(14(19)20)17-13(18)10-5-4-6-11-9(10)7-8-16-11/h4-8,12,16H,1-3H3,(H,17,18)(H,19,20)
InChIKeyNDPACVYICDIWEF-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.40
Rot. Bonds3

About 2-(1H-indole-4-carbonylamino)-3,3-dimethylbutanoic acid

2-(1H-indole-4-carbonylamino)-3,3-dimethylbutanoic acid (PubChem CID 43467273) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(1H-indole-4-carbonylamino)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-(1H-indole-4-carbonylamino)-3,3-dimethylbutanoic acid
PubChem CID43467273
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(1H-indole-4-carbonylamino)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)c1cccc2[nH]ccc12)C(=O)O
InChIInChI=1S/C15H18N2O3/c1-15(2,3)12(14(19)20)17-13(18)10-5-4-6-11-9(10)7-8-16-11/h4-8,12,16H,1-3H3,(H,17,18)(H,19,20)
InChIKeyNDPACVYICDIWEF-UHFFFAOYSA-N
XLogP2.40
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(1H-indole-4-carbonylamino)propanoic acid
CID 93286189
tert-butyl (2R)-2-(1H-indole-4-carbonylamino)propanoate
CID 80998151
N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide
CID 81043314
(2R)-2-[(2-iodobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 113353045
N-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide
CID 63010445
methyl (2S)-3-hydroxy-2-(1H-indole-4-carbonylamino)propanoate
CID 152504979
N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide
CID 115674677
N-[(2S)-4-oxo-4-phenylbutan-2-yl]-1H-indole-4-carboxamide
CID 97086507
(2S)-2-[(2,3-dichlorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61145041
1H-indole-4-carbohydrazide
CID 43316644
N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide
CID 102907617
N-[1-(furan-2-yl)ethyl]-1H-indole-4-carboxamide
CID 43581973

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indole-4-carbonylamino)-3,3-dimethylbutanoic acid?
The IUPAC name of 2-(1H-indole-4-carbonylamino)-3,3-dimethylbutanoic acid (CID 43467273) is 2-(1H-indole-4-carbonylamino)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-(1H-indole-4-carbonylamino)-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-(1H-indole-4-carbonylamino)-3,3-dimethylbutanoic acid is CC(C)(C)C(NC(=O)c1cccc2[nH]ccc12)C(=O)O.
What is the InChIKey of 2-(1H-indole-4-carbonylamino)-3,3-dimethylbutanoic acid?
The InChIKey is NDPACVYICDIWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(2,3)12(14(19)20)17-13(18)10-5-4-6-11-9(10)7-8-16-11/h4-8,12,16H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-(1H-indole-4-carbonylamino)-3,3-dimethylbutanoic acid?
2-(1H-indole-4-carbonylamino)-3,3-dimethylbutanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indole-4-carbonylamino)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 43467273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).