3-[2,3-dihydro-1H-indole-3-carbonyl(ethyl)amino]butanoic acid

C15H20N2O3 — CID 80566466

IUPAC3-[2,3-dihydro-1H-indole-3-carbonyl(ethyl)amino]butanoic acid
SMILESCCN(C(=O)C1CNc2ccccc21)C(C)CC(=O)O
InChIInChI=1S/C15H20N2O3/c1-3-17(10(2)8-14(18)19)15(20)12-9-16-13-7-5-4-6-11(12)13/h4-7,10,12,16H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyDCCYRQXESUBYMZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.91
Rot. Bonds5

About 3-[2,3-dihydro-1H-indole-3-carbonyl(ethyl)amino]butanoic acid

3-[2,3-dihydro-1H-indole-3-carbonyl(ethyl)amino]butanoic acid (PubChem CID 80566466) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[2,3-dihydro-1H-indole-3-carbonyl(ethyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[2,3-dihydro-1H-indole-3-carbonyl(ethyl)amino]butanoic acid
PubChem CID80566466
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[2,3-dihydro-1H-indole-3-carbonyl(ethyl)amino]butanoic acid
SMILESCCN(C(=O)C1CNc2ccccc21)C(C)CC(=O)O
InChIInChI=1S/C15H20N2O3/c1-3-17(10(2)8-14(18)19)15(20)12-9-16-13-7-5-4-6-11(12)13/h4-7,10,12,16H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyDCCYRQXESUBYMZ-UHFFFAOYSA-N
XLogP1.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,3-dihydro-1H-indole-3-carbonyl(propan-2-yl)amino]acetic acid
CID 80565595
N-butan-2-yl-N-butyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565497
2-[2,3-dihydro-1H-indole-3-carbonyl(methyl)amino]propanoic acid
CID 80566211
4-(2,3-dihydro-1H-indole-3-carbonylamino)-3-methylbutanoic acid
CID 81072234
N-propan-2-yl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80563360
N-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-indole-3-carboxamide
CID 106935509
N-butan-2-yl-N-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43274787
N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260889
2-[2,3-dihydro-1H-indole-3-carbonyl(2-methoxyethyl)amino]acetic acid
CID 80567157
N-(cyclopropylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565251
N-(1-phenylethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566091
N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80563634

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dihydro-1H-indole-3-carbonyl(ethyl)amino]butanoic acid?
The IUPAC name of 3-[2,3-dihydro-1H-indole-3-carbonyl(ethyl)amino]butanoic acid (CID 80566466) is 3-[2,3-dihydro-1H-indole-3-carbonyl(ethyl)amino]butanoic acid.
What is the SMILES notation for 3-[2,3-dihydro-1H-indole-3-carbonyl(ethyl)amino]butanoic acid?
The canonical SMILES for 3-[2,3-dihydro-1H-indole-3-carbonyl(ethyl)amino]butanoic acid is CCN(C(=O)C1CNc2ccccc21)C(C)CC(=O)O.
What is the InChIKey of 3-[2,3-dihydro-1H-indole-3-carbonyl(ethyl)amino]butanoic acid?
The InChIKey is DCCYRQXESUBYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-17(10(2)8-14(18)19)15(20)12-9-16-13-7-5-4-6-11(12)13/h4-7,10,12,16H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of 3-[2,3-dihydro-1H-indole-3-carbonyl(ethyl)amino]butanoic acid?
3-[2,3-dihydro-1H-indole-3-carbonyl(ethyl)amino]butanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dihydro-1H-indole-3-carbonyl(ethyl)amino]butanoic acid is sourced from PubChem (CID 80566466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).