cis-(1R,3S)-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid

C17H21NO3 — CID 106320641

IUPACcis-(1R,3S)-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1ccc2c(c1)CCC2)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C17H21NO3/c19-16(18-15-7-6-14(10-15)17(20)21)9-11-4-5-12-2-1-3-13(12)8-11/h4-5,8,14-15H,1-3,6-7,9-10H2,(H,18,19)(H,20,21)/t14-,15+/m1/s1
InChIKeyOHQAQRMTWOALPT-CABCVRRESA-N
MW287.36 g/mol
LogP2.09
Rot. Bonds4

About cis-(1R,3S)-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 106320641) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID106320641
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Namecis-(1R,3S)-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1ccc2c(c1)CCC2)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C17H21NO3/c19-16(18-15-7-6-14(10-15)17(20)21)9-11-4-5-12-2-1-3-13(12)8-11/h4-5,8,14-15H,1-3,6-7,9-10H2,(H,18,19)(H,20,21)/t14-,15+/m1/s1
InChIKeyOHQAQRMTWOALPT-CABCVRRESA-N
XLogP2.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1R,3S)-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030527
N-cyclopropyl-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8623360
2-(2,3-dihydro-1H-inden-5-yl)-N-(3-methylcyclopentyl)acetamide
CID 114549929
3-[[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 166264931
3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030616
3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 63043266
N-cyclopropyl-2-[4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]piperazin-1-yl]acetamide
CID 17421092
N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 115104820
1-cyclobutyl-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 64982201
N-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylmethylamino)propanamide
CID 79036237
3-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030936
N-cyclopentyl-3-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanamide
CID 60569006

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid (CID 106320641) is cis-(1R,3S)-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(Cc1ccc2c(c1)CCC2)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is OHQAQRMTWOALPT-CABCVRRESA-N. The full InChI is InChI=1S/C17H21NO3/c19-16(18-15-7-6-14(10-15)17(20)21)9-11-4-5-12-2-1-3-13(12)8-11/h4-5,8,14-15H,1-3,6-7,9-10H2,(H,18,19)(H,20,21)/t14-,15+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).