cis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid

C15H16N2O3 — CID 106320270

IUPACcis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H16N2O3/c18-14(17-10-6-5-9(7-10)15(19)20)12-8-16-13-4-2-1-3-11(12)13/h1-4,8-10,16H,5-7H2,(H,17,18)(H,19,20)/t9-,10+/m1/s1
InChIKeyVDXLQSLDEOLWEA-ZJUUUORDSA-N
MW272.30 g/mol
LogP2.15
Rot. Bonds3

About cis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 106320270) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is cis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid
PubChem CID106320270
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namecis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H16N2O3/c18-14(17-10-6-5-9(7-10)15(19)20)12-8-16-13-4-2-1-3-11(12)13/h1-4,8-10,16H,5-7H2,(H,17,18)(H,19,20)/t9-,10+/m1/s1
InChIKeyVDXLQSLDEOLWEA-ZJUUUORDSA-N
XLogP2.15
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-1H-indole-3-carboxamide
CID 62321120
cis-(1S,3R)-3-[(4-bromo-1H-indole-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120676344
N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide
CID 61230821
N-(4,4-difluorocyclohexyl)-1H-indole-3-carboxamide
CID 121021872
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
N-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide
CID 38112267
cis-(1R,3S)-3-[4-(1H-indol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120679084
N-(3-ethoxycyclobutyl)-1H-indole-3-carboxamide
CID 102673960
N-(3-ethyl-4-methyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1H-indole-3-carboxamide
CID 75279343
cis-(1R,3S)-3-(1-benzothiophene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320846
N-(2-aminocyclopentyl)-1H-indole-3-carboxamide
CID 63251414
cyclopropyl(1H-indol-3-yl)methanone
CID 965839

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid (CID 106320270) is cis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid is O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1c[nH]c2ccccc12.
What is the InChIKey of cis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is VDXLQSLDEOLWEA-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-14(17-10-6-5-9(7-10)15(19)20)12-8-16-13-4-2-1-3-11(12)13/h1-4,8-10,16H,5-7H2,(H,17,18)(H,19,20)/t9-,10+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).