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

C13H15NO4 — CID 106320931

IUPACcis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cccc(O)c1
InChIInChI=1S/C13H15NO4/c15-11-3-1-2-8(7-11)12(16)14-10-5-4-9(6-10)13(17)18/h1-3,7,9-10,15H,4-6H2,(H,14,16)(H,17,18)/t9-,10+/m1/s1
InChIKeyVZVCASVGNUCPEQ-ZJUUUORDSA-N
MW249.27 g/mol
LogP1.38
Rot. Bonds3

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

cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 106320931) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID106320931
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namecis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cccc(O)c1
InChIInChI=1S/C13H15NO4/c15-11-3-1-2-8(7-11)12(16)14-10-5-4-9(6-10)13(17)18/h1-3,7,9-10,15H,4-6H2,(H,14,16)(H,17,18)/t9-,10+/m1/s1
InChIKeyVZVCASVGNUCPEQ-ZJUUUORDSA-N
XLogP1.38
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320083
3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 66030146
cis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675705
3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107688102
cis-(1R,3S)-3-[(2,6-dihydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106319993
cis-(1R,3S)-3-[(3-hydroxy-4-iodobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321411
cis-(1R,3S)-3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678069
cis-(1S,3R)-3-[[3-[4-(aminomethyl)phenyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 154868807
3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043451
3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044355
3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043138

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid (CID 106320931) is cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid is O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1cccc(O)c1.
What is the InChIKey of cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is VZVCASVGNUCPEQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H15NO4/c15-11-3-1-2-8(7-11)12(16)14-10-5-4-9(6-10)13(17)18/h1-3,7,9-10,15H,4-6H2,(H,14,16)(H,17,18)/t9-,10+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).