2-[cyclopentyl(2,3-dihydroindole-1-carbonyl)amino]acetic acid

C16H20N2O3 — CID 61189507

IUPAC2-[cyclopentyl(2,3-dihydroindole-1-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)N1CCc2ccccc21)C1CCCC1
InChIInChI=1S/C16H20N2O3/c19-15(20)11-18(13-6-2-3-7-13)16(21)17-10-9-12-5-1-4-8-14(12)17/h1,4-5,8,13H,2-3,6-7,9-11H2,(H,19,20)
InChIKeyCJRMDQILNRCLSD-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.50
Rot. Bonds3

About 2-[cyclopentyl(2,3-dihydroindole-1-carbonyl)amino]acetic acid

2-[cyclopentyl(2,3-dihydroindole-1-carbonyl)amino]acetic acid (PubChem CID 61189507) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[cyclopentyl(2,3-dihydroindole-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(2,3-dihydroindole-1-carbonyl)amino]acetic acid
PubChem CID61189507
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[cyclopentyl(2,3-dihydroindole-1-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)N1CCc2ccccc21)C1CCCC1
InChIInChI=1S/C16H20N2O3/c19-15(20)11-18(13-6-2-3-7-13)16(21)17-10-9-12-5-1-4-8-14(12)17/h1,4-5,8,13H,2-3,6-7,9-11H2,(H,19,20)
InChIKeyCJRMDQILNRCLSD-UHFFFAOYSA-N
XLogP2.50
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid
CID 61185424
2-[tert-butyl(3,4-dihydro-2H-quinoline-1-carbonyl)amino]acetic acid
CID 79263741
2-[butan-2-yl(2,3-dihydroindole-1-carbonyl)amino]acetic acid
CID 61189508
2-[cyclopropyl-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]acetic acid
CID 60834511
2-[cyclohexyl(methyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 54817931
N,N-diethyl-2,3-dihydroindole-1-carboxamide
CID 2987329
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone
CID 124554087
N-benzyl-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 108991209
N-cyclopropyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113115408
N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113116402
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
N-(cyclohexylmethyl)-2,3-dihydroindole-1-carboxamide
CID 67190094

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2,3-dihydroindole-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(2,3-dihydroindole-1-carbonyl)amino]acetic acid (CID 61189507) is 2-[cyclopentyl(2,3-dihydroindole-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(2,3-dihydroindole-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(2,3-dihydroindole-1-carbonyl)amino]acetic acid is O=C(O)CN(C(=O)N1CCc2ccccc21)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(2,3-dihydroindole-1-carbonyl)amino]acetic acid?
The InChIKey is CJRMDQILNRCLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(20)11-18(13-6-2-3-7-13)16(21)17-10-9-12-5-1-4-8-14(12)17/h1,4-5,8,13H,2-3,6-7,9-11H2,(H,19,20).
What are the key properties of 2-[cyclopentyl(2,3-dihydroindole-1-carbonyl)amino]acetic acid?
2-[cyclopentyl(2,3-dihydroindole-1-carbonyl)amino]acetic acid has a molecular weight of 288.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2,3-dihydroindole-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 61189507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).