(3R)-3-(4-chlorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate

C18H17ClNO5- — CID 7045109

IUPAC(3R)-3-(4-chlorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
SMILESCOc1ccccc1OCC(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO5/c1-24-15-4-2-3-5-16(15)25-11-17(21)20-14(10-18(22)23)12-6-8-13(19)9-7-12/h2-9,14H,10-11H2,1H3,(H,20,21)(H,22,23)/p-1/t14-/m1/s1
InChIKeyVYMFHCUGIWPYDP-CQSZACIVSA-M
MW362.79 g/mol
LogP1.72
Rot. Bonds8

About (3R)-3-(4-chlorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate

(3R)-3-(4-chlorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate (PubChem CID 7045109) has the molecular formula C18H17ClNO5- and a molecular weight of 362.79 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
PubChem CID7045109
Molecular FormulaC18H17ClNO5-
Molecular Weight362.79 g/mol
Exact Mass362.08
IUPAC Name(3R)-3-(4-chlorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
SMILESCOc1ccccc1OCC(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO5/c1-24-15-4-2-3-5-16(15)25-11-17(21)20-14(10-18(22)23)12-6-8-13(19)9-7-12/h2-9,14H,10-11H2,1H3,(H,20,21)(H,22,23)/p-1/t14-/m1/s1
InChIKeyVYMFHCUGIWPYDP-CQSZACIVSA-M
XLogP1.72
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.79
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-(4-chlorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate 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

3-(3,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 3511694
methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
CID 18121206
methyl (3R)-3-(4-fluorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 51967900
3-(4-tert-butylphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 3992171
(3R)-3-(4-tert-butylphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 7045026
(3S)-3-(4-chlorophenyl)-3-[[2-(2-propan-2-ylphenoxy)acetyl]amino]propanoic acid
CID 7045006
3-(4-ethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 3938884
3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-phenylacetyl)amino]propanoate
CID 3465786
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 110663484
2-(2-methoxyphenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28958838
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 7944732
methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 113257879

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate?
The IUPAC name of (3R)-3-(4-chlorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate (CID 7045109) is (3R)-3-(4-chlorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate is COc1ccccc1OCC(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate?
The InChIKey is VYMFHCUGIWPYDP-CQSZACIVSA-M. The full InChI is InChI=1S/C18H18ClNO5/c1-24-15-4-2-3-5-16(15)25-11-17(21)20-14(10-18(22)23)12-6-8-13(19)9-7-12/h2-9,14H,10-11H2,1H3,(H,20,21)(H,22,23)/p-1/t14-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate?
(3R)-3-(4-chlorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate has a molecular weight of 362.79 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate is sourced from PubChem (CID 7045109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).