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

C14H18N2O3 — CID 80567354

IUPAC4-(2,3-dihydro-1H-indole-3-carbonylamino)-2-methylbutanoic acid
SMILESCC(CCNC(=O)C1CNc2ccccc21)C(=O)O
InChIInChI=1S/C14H18N2O3/c1-9(14(18)19)6-7-15-13(17)11-8-16-12-5-3-2-4-10(11)12/h2-5,9,11,16H,6-8H2,1H3,(H,15,17)(H,18,19)
InChIKeyGCVDLINMLPKZOC-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.42
Rot. Bonds5

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

4-(2,3-dihydro-1H-indole-3-carbonylamino)-2-methylbutanoic acid (PubChem CID 80567354) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indole-3-carbonylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indole-3-carbonylamino)-2-methylbutanoic acid
PubChem CID80567354
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-(2,3-dihydro-1H-indole-3-carbonylamino)-2-methylbutanoic acid
SMILESCC(CCNC(=O)C1CNc2ccccc21)C(=O)O
InChIInChI=1S/C14H18N2O3/c1-9(14(18)19)6-7-15-13(17)11-8-16-12-5-3-2-4-10(11)12/h2-5,9,11,16H,6-8H2,1H3,(H,15,17)(H,18,19)
InChIKeyGCVDLINMLPKZOC-UHFFFAOYSA-N
XLogP1.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1H-indole-3-carbonylamino)butanoic acid
CID 80565766
4-(2,3-dihydro-1H-indole-3-carbonylamino)-3-methylbutanoic acid
CID 81072234
N-hexyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565289
N-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 115406896
N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566091
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563456
(2R)-5-amino-2-(2,3-dihydro-1H-indole-3-carbonylamino)-5-oxopentanoic acid
CID 107830369
N-[2-[cyclopentyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563493
N-[(2-methylcyclopropyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 113463842
N-(4-hydroxypentan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 113376258
N-but-3-yn-2-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 114417212
N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80566305

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indole-3-carbonylamino)-2-methylbutanoic acid?
The IUPAC name of 4-(2,3-dihydro-1H-indole-3-carbonylamino)-2-methylbutanoic acid (CID 80567354) is 4-(2,3-dihydro-1H-indole-3-carbonylamino)-2-methylbutanoic acid.
What is the SMILES notation for 4-(2,3-dihydro-1H-indole-3-carbonylamino)-2-methylbutanoic acid?
The canonical SMILES for 4-(2,3-dihydro-1H-indole-3-carbonylamino)-2-methylbutanoic acid is CC(CCNC(=O)C1CNc2ccccc21)C(=O)O.
What is the InChIKey of 4-(2,3-dihydro-1H-indole-3-carbonylamino)-2-methylbutanoic acid?
The InChIKey is GCVDLINMLPKZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(14(18)19)6-7-15-13(17)11-8-16-12-5-3-2-4-10(11)12/h2-5,9,11,16H,6-8H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 4-(2,3-dihydro-1H-indole-3-carbonylamino)-2-methylbutanoic acid?
4-(2,3-dihydro-1H-indole-3-carbonylamino)-2-methylbutanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indole-3-carbonylamino)-2-methylbutanoic acid is sourced from PubChem (CID 80567354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).