4-[(3-chlorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid

C14H17ClN2O4 — CID 66266331

IUPAC4-[(3-chlorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NCc1cccc(Cl)c1)C1COCC1C(=O)O
InChIInChI=1S/C14H17ClN2O4/c1-17(12-8-21-7-11(12)13(18)19)14(20)16-6-9-3-2-4-10(15)5-9/h2-5,11-12H,6-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyDRFDTZRAHAACHI-UHFFFAOYSA-N
MW312.75 g/mol
LogP1.58
Rot. Bonds4

About 4-[(3-chlorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid

4-[(3-chlorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid (PubChem CID 66266331) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid
PubChem CID66266331
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name4-[(3-chlorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NCc1cccc(Cl)c1)C1COCC1C(=O)O
InChIInChI=1S/C14H17ClN2O4/c1-17(12-8-21-7-11(12)13(18)19)14(20)16-6-9-3-2-4-10(15)5-9/h2-5,11-12H,6-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyDRFDTZRAHAACHI-UHFFFAOYSA-N
XLogP1.58
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-fluorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66266895
4-[methyl(pyridin-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267870
4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66265943
3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea
CID 110301228
3-[(3-chlorophenyl)methyl]-1-[4-(hydroxymethyl)cyclohexyl]-1-methylurea
CID 75386049
4-[(4-chloro-2-fluorobenzoyl)-methylamino]oxolane-3-carboxylic acid
CID 66237354
4-[methyl-[(1-methylimidazol-2-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66266133
3-[(3-chlorophenyl)methylcarbamoyl-methylamino]propanoic acid
CID 62532266
4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 83113561
3-[(3-chlorophenyl)methyl]-1,1-bis(2-hydroxyethyl)urea
CID 108898653
2-[(3-chlorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid
CID 80996487
N-[(3-chlorophenyl)methyl]-3-methyloxirane-2-carboxamide
CID 134349407

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(3-chlorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid (CID 66266331) is 4-[(3-chlorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(3-chlorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(3-chlorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid is CN(C(=O)NCc1cccc(Cl)c1)C1COCC1C(=O)O.
What is the InChIKey of 4-[(3-chlorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid?
The InChIKey is DRFDTZRAHAACHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-17(12-8-21-7-11(12)13(18)19)14(20)16-6-9-3-2-4-10(15)5-9/h2-5,11-12H,6-8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[(3-chlorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid?
4-[(3-chlorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid has a molecular weight of 312.75 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methylcarbamoyl-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66266331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).