cis-(1S,3R)-3-[(6-methyl-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid

C16H18N2O3 — CID 120677007

IUPACcis-(1S,3R)-3-[(6-methyl-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc2cc(C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)[nH]c2c1
InChIInChI=1S/C16H18N2O3/c1-9-2-3-10-8-14(18-13(10)6-9)15(19)17-12-5-4-11(7-12)16(20)21/h2-3,6,8,11-12,18H,4-5,7H2,1H3,(H,17,19)(H,20,21)/t11-,12+/m0/s1
InChIKeyOIOSSHUCYCNNRX-NWDGAFQWSA-N
MW286.33 g/mol
LogP2.46
Rot. Bonds3

About cis-(1S,3R)-3-[(6-methyl-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[(6-methyl-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120677007) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(6-methyl-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(6-methyl-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120677007
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namecis-(1S,3R)-3-[(6-methyl-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc2cc(C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)[nH]c2c1
InChIInChI=1S/C16H18N2O3/c1-9-2-3-10-8-14(18-13(10)6-9)15(19)17-12-5-4-11(7-12)16(20)21/h2-3,6,8,11-12,18H,4-5,7H2,1H3,(H,17,19)(H,20,21)/t11-,12+/m0/s1
InChIKeyOIOSSHUCYCNNRX-NWDGAFQWSA-N
XLogP2.46
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxycyclohexyl)-6-methyl-1H-indole-2-carboxamide
CID 110885323
N-cycloheptyl-6-methyl-1H-indole-2-carboxamide
CID 113207326
cis-(1R,3S)-3-[[6-(trifluoromethoxy)-1H-indole-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677418
cis-(1R,3S)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678002
N-(3-methylcyclopentyl)-1H-indole-2-carboxamide
CID 114550625
N-(3,4-dimethylcyclohexyl)-1H-indole-2-carboxamide
CID 64742784
N-cyclohexyl-5-methyl-1H-indole-2-carboxamide
CID 3886919
6-methyl-N-(6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepin-7-yl)-1H-indole-2-carboxamide
CID 128866997
6-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847855
N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
CID 177170209
cis-(1R,3S)-3-[(4-methyl-2-phenylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120678923
3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(6-methyl-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(6-methyl-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 120677007) is cis-(1S,3R)-3-[(6-methyl-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(6-methyl-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(6-methyl-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid is Cc1ccc2cc(C(=O)N[C@@H]3CC[C@H](C(=O)O)C3)[nH]c2c1.
What is the InChIKey of cis-(1S,3R)-3-[(6-methyl-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is OIOSSHUCYCNNRX-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9-2-3-10-8-14(18-13(10)6-9)15(19)17-12-5-4-11(7-12)16(20)21/h2-3,6,8,11-12,18H,4-5,7H2,1H3,(H,17,19)(H,20,21)/t11-,12+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[(6-methyl-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[(6-methyl-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(6-methyl-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120677007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).