cis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid

C17H18N2O3 — CID 120675705

IUPACcis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C17H18N2O3/c20-16(18-14-7-6-13(10-14)17(21)22)12-4-3-5-15(11-12)19-8-1-2-9-19/h1-5,8-9,11,13-14H,6-7,10H2,(H,18,20)(H,21,22)/t13-,14+/m0/s1
InChIKeyQTRWEXNOSYLSGP-UONOGXRCSA-N
MW298.34 g/mol
LogP2.46
Rot. Bonds4

About cis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120675705) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120675705
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namecis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C17H18N2O3/c20-16(18-14-7-6-13(10-14)17(21)22)12-4-3-5-15(11-12)19-8-1-2-9-19/h1-5,8-9,11,13-14H,6-7,10H2,(H,18,20)(H,21,22)/t13-,14+/m0/s1
InChIKeyQTRWEXNOSYLSGP-UONOGXRCSA-N
XLogP2.46
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320083
cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320931
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 66030146
cis-(1R,3S)-3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678069
N-[(2R,4R)-2-(4-fluorophenyl)oxan-4-yl]-3-pyrrol-1-ylbenzamide
CID 97353435
N-[(2S,4R)-2-(4-fluorophenyl)oxan-4-yl]-3-pyrrol-1-ylbenzamide
CID 97353433
3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044355
cis-(1S,3R)-3-[[3-[4-(aminomethyl)phenyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 154868807
3-[(3,4-dimethylcyclohexyl)carbamoyl]benzoic acid
CID 64742565
3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043138
3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043451

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid (CID 120675705) is cis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid is O=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1cccc(-n2cccc2)c1.
What is the InChIKey of cis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is QTRWEXNOSYLSGP-UONOGXRCSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-16(18-14-7-6-13(10-14)17(21)22)12-4-3-5-15(11-12)19-8-1-2-9-19/h1-5,8-9,11,13-14H,6-7,10H2,(H,18,20)(H,21,22)/t13-,14+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).