2-[(5-chloro-2-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid

C15H18ClNO4 — CID 120690229

IUPAC2-[(5-chloro-2-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
SMILESCc1ccc(Cl)cc1C(=O)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C15H18ClNO4/c1-9-4-5-11(16)7-12(9)14(18)17-13(15(19)20)10-3-2-6-21-8-10/h4-5,7,10,13H,2-3,6,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyRPMJCIMFDTVNRZ-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.26
Rot. Bonds4

About 2-[(5-chloro-2-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid

2-[(5-chloro-2-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid (PubChem CID 120690229) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 2-[(5-chloro-2-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
PubChem CID120690229
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name2-[(5-chloro-2-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
SMILESCc1ccc(Cl)cc1C(=O)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C15H18ClNO4/c1-9-4-5-11(16)7-12(9)14(18)17-13(15(19)20)10-3-2-6-21-8-10/h4-5,7,10,13H,2-3,6,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyRPMJCIMFDTVNRZ-UHFFFAOYSA-N
XLogP2.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120549071
2-[(3,5-dimethylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547871
2-[[3-(4-chlorophenoxy)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547587
2-[[2-(4-chlorophenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548047
2-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547967
2-[[4-(4-fluorophenyl)-5-methylthiophene-2-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547552
2-[[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548176
2-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120549037
2-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548532
2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547720
2-(oxan-3-yl)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]acetic acid
CID 120547561
2-[(5-chloro-2-methylbenzoyl)amino]-3-cyclopropylpropanoic acid
CID 120689553

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-[(5-chloro-2-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid (CID 120690229) is 2-[(5-chloro-2-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-[(5-chloro-2-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-[(5-chloro-2-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid is Cc1ccc(Cl)cc1C(=O)NC(C(=O)O)C1CCCOC1.
What is the InChIKey of 2-[(5-chloro-2-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid?
The InChIKey is RPMJCIMFDTVNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-9-4-5-11(16)7-12(9)14(18)17-13(15(19)20)10-3-2-6-21-8-10/h4-5,7,10,13H,2-3,6,8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(5-chloro-2-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid?
2-[(5-chloro-2-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid has a molecular weight of 311.76 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 120690229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).