methyl (2S)-2-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]propanoate

C13H16ClNO4 — CID 87040393

IUPACmethyl (2S)-2-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)COCc1ccccc1Cl
InChIInChI=1S/C13H16ClNO4/c1-9(13(17)18-2)15-12(16)8-19-7-10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyUUUMUBNZFDDOJD-VIFPVBQESA-N
MW285.73 g/mol
LogP1.53
Rot. Bonds6

About methyl (2S)-2-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]propanoate

methyl (2S)-2-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]propanoate (PubChem CID 87040393) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is methyl (2S)-2-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]propanoate
PubChem CID87040393
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Namemethyl (2S)-2-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)COCc1ccccc1Cl
InChIInChI=1S/C13H16ClNO4/c1-9(13(17)18-2)15-12(16)8-19-7-10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyUUUMUBNZFDDOJD-VIFPVBQESA-N
XLogP1.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-[[2-[(2-chlorophenyl)methoxy]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

2-[(2-chlorophenyl)methoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 51958272
methyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate
CID 61499471
methyl 2-bromo-3-[(2-chlorophenyl)methoxy]propanoate
CID 81091609
N-[3-(carbamoylamino)phenyl]-2-[(2-chlorophenyl)methoxy]acetamide
CID 51086475
2-[(2-chlorophenyl)methoxy]-N-[furan-2-yl(phenyl)methyl]acetamide
CID 55772590
methyl 2-[3-(2-chlorophenoxy)propanoylamino]propanoate
CID 60753235
methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 113257879
methyl (2S)-2-[(2-chlorophenyl)carbamoylamino]propanoate
CID 940051
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60638078
methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate
CID 2079406
methyl 2-[3-(2-hydroxyphenyl)propanoylamino]propanoate
CID 60712354
N'-[2-[(2-chlorophenyl)methoxy]acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 55789099

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]propanoate (CID 87040393) is methyl (2S)-2-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]propanoate is COC(=O)[C@H](C)NC(=O)COCc1ccccc1Cl.
What is the InChIKey of methyl (2S)-2-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]propanoate?
The InChIKey is UUUMUBNZFDDOJD-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-9(13(17)18-2)15-12(16)8-19-7-10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3,(H,15,16)/t9-/m0/s1.
What are the key properties of methyl (2S)-2-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]propanoate?
methyl (2S)-2-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]propanoate has a molecular weight of 285.73 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]propanoate is sourced from PubChem (CID 87040393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).