2-[(1H-indole-5-carbonylamino)methyl]pentanoic acid

C15H18N2O3 — CID 65223413

IUPAC2-[(1H-indole-5-carbonylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1ccc2[nH]ccc2c1)C(=O)O
InChIInChI=1S/C15H18N2O3/c1-2-3-12(15(19)20)9-17-14(18)11-4-5-13-10(8-11)6-7-16-13/h4-8,12,16H,2-3,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyWJYOJRROJPZRRB-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.40
Rot. Bonds6

About 2-[(1H-indole-5-carbonylamino)methyl]pentanoic acid

2-[(1H-indole-5-carbonylamino)methyl]pentanoic acid (PubChem CID 65223413) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(1H-indole-5-carbonylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name2-[(1H-indole-5-carbonylamino)methyl]pentanoic acid
PubChem CID65223413
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[(1H-indole-5-carbonylamino)methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1ccc2[nH]ccc2c1)C(=O)O
InChIInChI=1S/C15H18N2O3/c1-2-3-12(15(19)20)9-17-14(18)11-4-5-13-10(8-11)6-7-16-13/h4-8,12,16H,2-3,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyWJYOJRROJPZRRB-UHFFFAOYSA-N
XLogP2.40
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
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

2-[(1H-indole-5-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220172
N-hexan-3-yl-1H-indole-5-carboxamide
CID 63718470
N-(2-cyclopropyl-2-hydroxyethyl)-1H-indole-5-carboxamide
CID 55257824
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
4-[(1H-indole-5-carbonylamino)methyl]benzoic acid
CID 141342691
N-octan-2-yl-1H-indole-5-carboxamide
CID 63716567
2-[[(4-propan-2-ylbenzoyl)amino]methyl]pentanoic acid
CID 65219089
2-[[(3-methyl-4-nitrobenzoyl)amino]methyl]pentanoic acid
CID 65223308
(2S,3S)-2-(1H-indole-5-carbonylamino)-3-methylpentanoic acid
CID 7096551
N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 113282701
N-(6-hydroxyhexyl)-1H-indole-5-carboxamide
CID 103918779
N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide
CID 103709321

Frequently Asked Questions

What is the IUPAC name of 2-[(1H-indole-5-carbonylamino)methyl]pentanoic acid?
The IUPAC name of 2-[(1H-indole-5-carbonylamino)methyl]pentanoic acid (CID 65223413) is 2-[(1H-indole-5-carbonylamino)methyl]pentanoic acid.
What is the SMILES notation for 2-[(1H-indole-5-carbonylamino)methyl]pentanoic acid?
The canonical SMILES for 2-[(1H-indole-5-carbonylamino)methyl]pentanoic acid is CCCC(CNC(=O)c1ccc2[nH]ccc2c1)C(=O)O.
What is the InChIKey of 2-[(1H-indole-5-carbonylamino)methyl]pentanoic acid?
The InChIKey is WJYOJRROJPZRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-3-12(15(19)20)9-17-14(18)11-4-5-13-10(8-11)6-7-16-13/h4-8,12,16H,2-3,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(1H-indole-5-carbonylamino)methyl]pentanoic acid?
2-[(1H-indole-5-carbonylamino)methyl]pentanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1H-indole-5-carbonylamino)methyl]pentanoic acid is sourced from PubChem (CID 65223413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).