2-[(4-chlorophenyl)methyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid

C17H22ClNO4 — CID 120686069

IUPAC2-[(4-chlorophenyl)methyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid
SMILESCC(C(=O)N(CC(=O)O)Cc1ccc(Cl)cc1)C1CCOCC1
InChIInChI=1S/C17H22ClNO4/c1-12(14-6-8-23-9-7-14)17(22)19(11-16(20)21)10-13-2-4-15(18)5-3-13/h2-5,12,14H,6-11H2,1H3,(H,20,21)
InChIKeyLFZMMRBNKMCBGX-UHFFFAOYSA-N
MW339.82 g/mol
LogP2.82
Rot. Bonds6

About 2-[(4-chlorophenyl)methyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid

2-[(4-chlorophenyl)methyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid (PubChem CID 120686069) has the molecular formula C17H22ClNO4 and a molecular weight of 339.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid
PubChem CID120686069
Molecular FormulaC17H22ClNO4
Molecular Weight339.82 g/mol
Exact Mass339.12
IUPAC Name2-[(4-chlorophenyl)methyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid
SMILESCC(C(=O)N(CC(=O)O)Cc1ccc(Cl)cc1)C1CCOCC1
InChIInChI=1S/C17H22ClNO4/c1-12(14-6-8-23-9-7-14)17(22)19(11-16(20)21)10-13-2-4-15(18)5-3-13/h2-5,12,14H,6-11H2,1H3,(H,20,21)
InChIKeyLFZMMRBNKMCBGX-UHFFFAOYSA-N
XLogP2.82
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chlorophenyl)methyl-[2-(oxan-4-yl)propanoyl]amino]acetic 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-[2-methylpropyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid
CID 120686043
2-[2-acetamidopropanoyl-[(4-chlorophenyl)methyl]amino]acetic acid
CID 119193678
2-[(4-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]acetic acid
CID 119193487
2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid
CID 119193651
2-[(4-chlorophenyl)methyl-[(2S)-1,4-dioxane-2-carbonyl]amino]acetic acid
CID 129466920
2-[(4-chlorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 39422832
2-[(4-chlorophenyl)methyl-(2,2-dimethylcyclopropanecarbonyl)amino]acetic acid
CID 120517344
2-[(4-chlorobenzoyl)-(oxan-4-yl)amino]acetic acid
CID 154742650
3-(4-chlorophenyl)-3-(oxan-4-yl)propanoic acid;ethane
CID 144917380
2-[(4-chlorophenyl)methyl-(1-methyl-2-oxopiperidine-4-carbonyl)amino]acetic acid
CID 119193545
2-(4-chlorophenyl)-2-[2-(oxan-4-yl)propanoylamino]butanoic acid
CID 120977923
N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide
CID 19118860

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[(4-chlorophenyl)methyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid (CID 120686069) is 2-[(4-chlorophenyl)methyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid is CC(C(=O)N(CC(=O)O)Cc1ccc(Cl)cc1)C1CCOCC1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid?
The InChIKey is LFZMMRBNKMCBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO4/c1-12(14-6-8-23-9-7-14)17(22)19(11-16(20)21)10-13-2-4-15(18)5-3-13/h2-5,12,14H,6-11H2,1H3,(H,20,21).
What are the key properties of 2-[(4-chlorophenyl)methyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid?
2-[(4-chlorophenyl)methyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid has a molecular weight of 339.82 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-[2-(oxan-4-yl)propanoyl]amino]acetic acid is sourced from PubChem (CID 120686069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).