3-[(1H-indole-7-carbonylamino)methyl]pentanoic acid

C15H18N2O3 — CID 81066304

IUPAC3-[(1H-indole-7-carbonylamino)methyl]pentanoic acid
SMILESCCC(CNC(=O)c1cccc2cc[nH]c12)CC(=O)O
InChIInChI=1S/C15H18N2O3/c1-2-10(8-13(18)19)9-17-15(20)12-5-3-4-11-6-7-16-14(11)12/h3-7,10,16H,2,8-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyQMXGHTLWHFRFBK-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.40
Rot. Bonds6

About 3-[(1H-indole-7-carbonylamino)methyl]pentanoic acid

3-[(1H-indole-7-carbonylamino)methyl]pentanoic acid (PubChem CID 81066304) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(1H-indole-7-carbonylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name3-[(1H-indole-7-carbonylamino)methyl]pentanoic acid
PubChem CID81066304
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-[(1H-indole-7-carbonylamino)methyl]pentanoic acid
SMILESCCC(CNC(=O)c1cccc2cc[nH]c12)CC(=O)O
InChIInChI=1S/C15H18N2O3/c1-2-10(8-13(18)19)9-17-15(20)12-5-3-4-11-6-7-16-14(11)12/h3-7,10,16H,2,8-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyQMXGHTLWHFRFBK-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

N-[(2S)-2-hydroxypropyl]-1H-indole-7-carboxamide
CID 83030773
3-[[(2-iodobenzoyl)amino]methyl]pentanoic acid
CID 81065530
3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065631
N-(2-pyrrolidin-1-ylpropyl)-1H-indole-7-carboxamide
CID 79035908
3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid
CID 81066303
(2S)-2-hydroxy-4-(1H-indole-7-carbonylamino)butanoic acid
CID 114006652
2-hydroxy-4-(1H-indole-7-carbonylamino)butanoic acid
CID 114006316
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indole-7-carboxamide
CID 111477059
3-[[(3-methyl-2-nitrobenzoyl)amino]methyl]pentanoic acid
CID 81067020
N-(2-hydroxy-2,3-dimethylbutyl)-1H-indole-7-carboxamide
CID 111483563
N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-7-carboxamide
CID 103709293
3-(1H-indole-7-carbonylamino)-3-thiophen-2-ylpropanoic acid
CID 75512233

Frequently Asked Questions

What is the IUPAC name of 3-[(1H-indole-7-carbonylamino)methyl]pentanoic acid?
The IUPAC name of 3-[(1H-indole-7-carbonylamino)methyl]pentanoic acid (CID 81066304) is 3-[(1H-indole-7-carbonylamino)methyl]pentanoic acid.
What is the SMILES notation for 3-[(1H-indole-7-carbonylamino)methyl]pentanoic acid?
The canonical SMILES for 3-[(1H-indole-7-carbonylamino)methyl]pentanoic acid is CCC(CNC(=O)c1cccc2cc[nH]c12)CC(=O)O.
What is the InChIKey of 3-[(1H-indole-7-carbonylamino)methyl]pentanoic acid?
The InChIKey is QMXGHTLWHFRFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-10(8-13(18)19)9-17-15(20)12-5-3-4-11-6-7-16-14(11)12/h3-7,10,16H,2,8-9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-[(1H-indole-7-carbonylamino)methyl]pentanoic acid?
3-[(1H-indole-7-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 3-[(1H-indole-7-carbonylamino)methyl]pentanoic acid is sourced from PubChem (CID 81066304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).