5-[(4-chlorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid

C13H14ClNO4 — CID 102687496

IUPAC5-[(4-chlorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCc2ccc(Cl)cc2)O1
InChIInChI=1S/C13H14ClNO4/c14-9-3-1-8(2-4-9)7-15-12(16)10-5-6-11(19-10)13(17)18/h1-4,10-11H,5-7H2,(H,15,16)(H,17,18)
InChIKeyRZALODSIESFKNB-UHFFFAOYSA-N
MW283.71 g/mol
LogP1.59
Rot. Bonds4

About 5-[(4-chlorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid

5-[(4-chlorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid (PubChem CID 102687496) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid
PubChem CID102687496
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name5-[(4-chlorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCc2ccc(Cl)cc2)O1
InChIInChI=1S/C13H14ClNO4/c14-9-3-1-8(2-4-9)7-15-12(16)10-5-6-11(19-10)13(17)18/h1-4,10-11H,5-7H2,(H,15,16)(H,17,18)
InChIKeyRZALODSIESFKNB-UHFFFAOYSA-N
XLogP1.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5S)-5-[(3,4-difluorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945093
2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791872
5-[(3-carbamoylphenyl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102687923
(1S,2R,3S,4R)-3-[(4-chlorophenyl)methylcarbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11881855
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
(2S,5R)-5-[[4-(1H-benzimidazol-2-yl)phenyl]methylcarbamoyl]oxolane-2-carboxylic acid
CID 167837210
trans-(1S,2S)-2-[[4-(4-chlorophenoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 42339176
(2R)-N-[[4-[(4-chlorophenyl)methylamino]phenyl]methyl]oxolane-2-carboxamide
CID 170159902
cis-(1R,3S)-3-[(4-chlorophenyl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091534
N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
CID 17152448
(2R,5S)-5-[(1-methylpyrrol-2-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 106414767
(2S,5R)-5-(aminomethyl)-N-[2-(4-chlorophenyl)ethyl]oxolane-2-carboxamide
CID 120783060

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(4-chlorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid (CID 102687496) is 5-[(4-chlorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(4-chlorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(4-chlorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(C(=O)NCc2ccc(Cl)cc2)O1.
What is the InChIKey of 5-[(4-chlorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid?
The InChIKey is RZALODSIESFKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4/c14-9-3-1-8(2-4-9)7-15-12(16)10-5-6-11(19-10)13(17)18/h1-4,10-11H,5-7H2,(H,15,16)(H,17,18).
What are the key properties of 5-[(4-chlorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid?
5-[(4-chlorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid has a molecular weight of 283.71 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102687496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).