2-(2,3-dihydro-1H-indole-2-carbonylamino)-5-methoxypentanoic acid

C15H20N2O4 — CID 81084026

IUPAC2-(2,3-dihydro-1H-indole-2-carbonylamino)-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)C1Cc2ccccc2N1)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-21-8-4-7-12(15(19)20)17-14(18)13-9-10-5-2-3-6-11(10)16-13/h2-3,5-6,12-13,16H,4,7-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyPGDXDCZLLBYMJL-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.02
Rot. Bonds7

About 2-(2,3-dihydro-1H-indole-2-carbonylamino)-5-methoxypentanoic acid

2-(2,3-dihydro-1H-indole-2-carbonylamino)-5-methoxypentanoic acid (PubChem CID 81084026) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indole-2-carbonylamino)-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indole-2-carbonylamino)-5-methoxypentanoic acid
PubChem CID81084026
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-(2,3-dihydro-1H-indole-2-carbonylamino)-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)C1Cc2ccccc2N1)C(=O)O
InChIInChI=1S/C15H20N2O4/c1-21-8-4-7-12(15(19)20)17-14(18)13-9-10-5-2-3-6-11(10)16-13/h2-3,5-6,12-13,16H,4,7-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyPGDXDCZLLBYMJL-UHFFFAOYSA-N
XLogP1.02
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 77048593
(2S)-2-(2,3-dihydro-1H-indole-2-carbonylamino)pentanedioic acid
CID 80563771
N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892809
(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 54991181
3-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpropanoic acid
CID 54462725
N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76893181
(2S)-N-octan-4-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 106025761
5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 115867150
(2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106349732
(2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 104864201
(2S)-N-(3-ethylpentan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 63843181
benzyl (2S)-5-amino-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-5-oxopentanoate
CID 164977448

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indole-2-carbonylamino)-5-methoxypentanoic acid?
The IUPAC name of 2-(2,3-dihydro-1H-indole-2-carbonylamino)-5-methoxypentanoic acid (CID 81084026) is 2-(2,3-dihydro-1H-indole-2-carbonylamino)-5-methoxypentanoic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-indole-2-carbonylamino)-5-methoxypentanoic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-indole-2-carbonylamino)-5-methoxypentanoic acid is COCCCC(NC(=O)C1Cc2ccccc2N1)C(=O)O.
What is the InChIKey of 2-(2,3-dihydro-1H-indole-2-carbonylamino)-5-methoxypentanoic acid?
The InChIKey is PGDXDCZLLBYMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-8-4-7-12(15(19)20)17-14(18)13-9-10-5-2-3-6-11(10)16-13/h2-3,5-6,12-13,16H,4,7-9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2,3-dihydro-1H-indole-2-carbonylamino)-5-methoxypentanoic acid?
2-(2,3-dihydro-1H-indole-2-carbonylamino)-5-methoxypentanoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indole-2-carbonylamino)-5-methoxypentanoic acid is sourced from PubChem (CID 81084026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).