methyl (2R)-2-(3-phenoxypropanoylamino)propanoate

C13H17NO4 — CID 113257886

IUPACmethyl (2R)-2-(3-phenoxypropanoylamino)propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)CCOc1ccccc1
InChIInChI=1S/C13H17NO4/c1-10(13(16)17-2)14-12(15)8-9-18-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyQLSSWKKLACCYBJ-SNVBAGLBSA-N
MW251.28 g/mol
LogP1.13
Rot. Bonds6

About methyl (2R)-2-(3-phenoxypropanoylamino)propanoate

methyl (2R)-2-(3-phenoxypropanoylamino)propanoate (PubChem CID 113257886) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is methyl (2R)-2-(3-phenoxypropanoylamino)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(3-phenoxypropanoylamino)propanoate
PubChem CID113257886
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Namemethyl (2R)-2-(3-phenoxypropanoylamino)propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)CCOc1ccccc1
InChIInChI=1S/C13H17NO4/c1-10(13(16)17-2)14-12(15)8-9-18-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,15)/t10-/m1/s1
InChIKeyQLSSWKKLACCYBJ-SNVBAGLBSA-N
XLogP1.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-(3-phenoxypropanoylamino)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

methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate
CID 60638161
methyl (2S)-2-[3-(3,5-dimethylphenoxy)propanoylamino]propanoate
CID 87040329
methyl 2-[3-(2-chlorophenoxy)propanoylamino]propanoate
CID 60753235
methyl 2-[3-(2-fluorophenoxy)propanoylamino]propanoate
CID 60638002
methyl 2-[4-(4-methylphenoxy)butanoylamino]propanoate
CID 60638192
N-(1-bromopropan-2-yl)-3-phenoxypropanamide
CID 114310403
N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide
CID 81042132
methyl 2-[4-(4-fluorophenoxy)butanoylamino]propanoate
CID 60724668
(2S)-N-cyclopentyl-2-(3-phenoxypropanoylamino)propanamide
CID 95292067
methyl 2-(4-phenylsulfanylbutanoylamino)propanoate
CID 60638193
N-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide
CID 61246616
N-[(2R)-1-hydroxybutan-2-yl]-3-phenoxypropanamide
CID 93032349

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(3-phenoxypropanoylamino)propanoate?
The IUPAC name of methyl (2R)-2-(3-phenoxypropanoylamino)propanoate (CID 113257886) is methyl (2R)-2-(3-phenoxypropanoylamino)propanoate.
What is the SMILES notation for methyl (2R)-2-(3-phenoxypropanoylamino)propanoate?
The canonical SMILES for methyl (2R)-2-(3-phenoxypropanoylamino)propanoate is COC(=O)[C@@H](C)NC(=O)CCOc1ccccc1.
What is the InChIKey of methyl (2R)-2-(3-phenoxypropanoylamino)propanoate?
The InChIKey is QLSSWKKLACCYBJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17NO4/c1-10(13(16)17-2)14-12(15)8-9-18-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,15)/t10-/m1/s1.
What are the key properties of methyl (2R)-2-(3-phenoxypropanoylamino)propanoate?
methyl (2R)-2-(3-phenoxypropanoylamino)propanoate has a molecular weight of 251.28 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(3-phenoxypropanoylamino)propanoate is sourced from PubChem (CID 113257886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).