2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid

C14H16ClNO4 — CID 119193651

IUPAC2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ccc(Cl)cc1)C(=O)C1CCCO1
InChIInChI=1S/C14H16ClNO4/c15-11-5-3-10(4-6-11)8-16(9-13(17)18)14(19)12-2-1-7-20-12/h3-6,12H,1-2,7-9H2,(H,17,18)
InChIKeyUDSKMMAQRDSYNY-UHFFFAOYSA-N
MW297.74 g/mol
LogP1.93
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid

2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid (PubChem CID 119193651) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid
PubChem CID119193651
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Name2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ccc(Cl)cc1)C(=O)C1CCCO1
InChIInChI=1S/C14H16ClNO4/c15-11-5-3-10(4-6-11)8-16(9-13(17)18)14(19)12-2-1-7-20-12/h3-6,12H,1-2,7-9H2,(H,17,18)
InChIKeyUDSKMMAQRDSYNY-UHFFFAOYSA-N
XLogP1.93
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl-[(2S)-1,4-dioxane-2-carbonyl]amino]acetic acid
CID 129466920
2-[(4-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]acetic acid
CID 119193487
2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid
CID 104855690
(2S)-N-(2-amino-2-oxoethyl)-N-[(4-phenylphenyl)methyl]oxolane-2-carboxamide
CID 94537928
2-[(4-chlorophenyl)methyl-(2,2-dimethylcyclopropanecarbonyl)amino]acetic acid
CID 120517344
(2S)-N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)oxolane-2-carboxamide
CID 91662725
(2R)-N-benzyl-N-(3,3,3-trifluoropropyl)oxolane-2-carboxamide
CID 99834856
2-[(4-chlorophenyl)methyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid
CID 119193545
N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide
CID 19118860
3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 40622198
2-chloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118818
2,4-dichloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118825

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid (CID 119193651) is 2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid is O=C(O)CN(Cc1ccc(Cl)cc1)C(=O)C1CCCO1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid?
The InChIKey is UDSKMMAQRDSYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c15-11-5-3-10(4-6-11)8-16(9-13(17)18)14(19)12-2-1-7-20-12/h3-6,12H,1-2,7-9H2,(H,17,18).
What are the key properties of 2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid?
2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid has a molecular weight of 297.74 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 119193651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).