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

C14H16N2O4 — CID 106320083

IUPACcis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESNC(=O)c1cccc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C14H16N2O4/c15-12(17)8-2-1-3-9(6-8)13(18)16-11-5-4-10(7-11)14(19)20/h1-3,6,10-11H,4-5,7H2,(H2,15,17)(H,16,18)(H,19,20)/t10-,11+/m1/s1
InChIKeyKLSNRFISWBXNKM-MNOVXSKESA-N
MW276.29 g/mol
LogP0.77
Rot. Bonds4

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

cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 106320083) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID106320083
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Namecis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESNC(=O)c1cccc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C14H16N2O4/c15-12(17)8-2-1-3-9(6-8)13(18)16-11-5-4-10(7-11)14(19)20/h1-3,6,10-11H,4-5,7H2,(H2,15,17)(H,16,18)(H,19,20)/t10-,11+/m1/s1
InChIKeyKLSNRFISWBXNKM-MNOVXSKESA-N
XLogP0.77
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044355
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
cis-(1R,3S)-3-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320365
cis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675705
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
cis-(1S,3R)-3-[[3-[4-(aminomethyl)phenyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 154868807
3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043138
cis-(1S,3R)-3-[[3-(benzenesulfonamido)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120674975
2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814585
3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
CID 79688346

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid (CID 106320083) is cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid is NC(=O)c1cccc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1.
What is the InChIKey of cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is KLSNRFISWBXNKM-MNOVXSKESA-N. The full InChI is InChI=1S/C14H16N2O4/c15-12(17)8-2-1-3-9(6-8)13(18)16-11-5-4-10(7-11)14(19)20/h1-3,6,10-11H,4-5,7H2,(H2,15,17)(H,16,18)(H,19,20)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 0.77, 4 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-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).