methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate

C12H14ClNO3 — CID 60638078

IUPACmethyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO3/c1-8(12(16)17-2)14-11(15)7-9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,15)
InChIKeyQTDYIOMAYBRIAR-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.56
Rot. Bonds4

About methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate

methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate (PubChem CID 60638078) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate
PubChem CID60638078
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Namemethyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO3/c1-8(12(16)17-2)14-11(15)7-9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,15)
InChIKeyQTDYIOMAYBRIAR-UHFFFAOYSA-N
XLogP1.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-methylbutanoate
CID 16625987
methyl 2-[[2-(4-chloro-2-methylphenyl)acetyl]amino]propanoate
CID 22104881
methyl 2-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60700981
N-[(2S)-1-aminopropan-2-yl]-2-(4-chlorophenyl)acetamide;hydrochloride
CID 120509175
(2R)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
CID 8733082
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-phenylpropanoate
CID 40744068
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
methyl 2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoate
CID 60645922
methyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate
CID 47337828
2-(4-chlorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]acetamide
CID 42561774
2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329407
methyl (2S)-3-(4-chlorophenyl)-2-methylpropanoate
CID 40999700

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate?
The IUPAC name of methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate (CID 60638078) is methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate?
The canonical SMILES for methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate is COC(=O)C(C)NC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate?
The InChIKey is QTDYIOMAYBRIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-8(12(16)17-2)14-11(15)7-9-3-5-10(13)6-4-9/h3-6,8H,7H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate?
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate has a molecular weight of 255.70 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate is sourced from PubChem (CID 60638078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).