cis-(1S,2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid

C13H18N2O4 — CID 106370141

IUPACcis-(1S,2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCc1cnc(CNC(=O)[C@@H]2CCC[C@@H]2C(=O)O)o1
InChIInChI=1S/C13H18N2O4/c1-2-8-6-14-11(19-8)7-15-12(16)9-4-3-5-10(9)13(17)18/h6,9-10H,2-5,7H2,1H3,(H,15,16)(H,17,18)/t9-,10+/m1/s1
InChIKeyPKRZCZAKRWVAQG-ZJUUUORDSA-N
MW266.30 g/mol
LogP1.35
Rot. Bonds5

About cis-(1S,2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 106370141) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID106370141
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namecis-(1S,2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCCc1cnc(CNC(=O)[C@@H]2CCC[C@@H]2C(=O)O)o1
InChIInChI=1S/C13H18N2O4/c1-2-8-6-14-11(19-8)7-15-12(16)9-4-3-5-10(9)13(17)18/h6,9-10H,2-5,7H2,1H3,(H,15,16)(H,17,18)/t9-,10+/m1/s1
InChIKeyPKRZCZAKRWVAQG-ZJUUUORDSA-N
XLogP1.35
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106370130
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 106371116
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]piperidine-2-carboxamide
CID 106370890
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide
CID 106371216
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 106371098
1-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methylcyclohexane-1-carboxamide
CID 106370912
3-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 106374244
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 106371148
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 113428820
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide
CID 106370575
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]morpholine-3-carboxamide
CID 114180212
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 106374336

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 106370141) is cis-(1S,2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid is CCc1cnc(CNC(=O)[C@@H]2CCC[C@@H]2C(=O)O)o1.
What is the InChIKey of cis-(1S,2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is PKRZCZAKRWVAQG-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-2-8-6-14-11(19-8)7-15-12(16)9-4-3-5-10(9)13(17)18/h6,9-10H,2-5,7H2,1H3,(H,15,16)(H,17,18)/t9-,10+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106370141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).