methyl 2-[[2-(4-chloro-2-methylphenyl)acetyl]amino]propanoate

C13H16ClNO3 — CID 22104881

IUPACmethyl 2-[[2-(4-chloro-2-methylphenyl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)Cc1ccc(Cl)cc1C
InChIInChI=1S/C13H16ClNO3/c1-8-6-11(14)5-4-10(8)7-12(16)15-9(2)13(17)18-3/h4-6,9H,7H2,1-3H3,(H,15,16)
InChIKeyWMXUWFJCSCPIOP-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.87
Rot. Bonds4

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

methyl 2-[[2-(4-chloro-2-methylphenyl)acetyl]amino]propanoate (PubChem CID 22104881) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is methyl 2-[[2-(4-chloro-2-methylphenyl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-chloro-2-methylphenyl)acetyl]amino]propanoate
PubChem CID22104881
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Namemethyl 2-[[2-(4-chloro-2-methylphenyl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)Cc1ccc(Cl)cc1C
InChIInChI=1S/C13H16ClNO3/c1-8-6-11(14)5-4-10(8)7-12(16)15-9(2)13(17)18-3/h4-6,9H,7H2,1-3H3,(H,15,16)
InChIKeyWMXUWFJCSCPIOP-UHFFFAOYSA-N
XLogP1.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide
CID 171546068
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60638078
3-[(4-chloro-2-methylphenyl)methylamino]butanamide
CID 104854330
methyl 2-[(4-chloro-2-methylphenyl)methylamino]-4-methylpentanoate
CID 103275372
methyl 2-(4-chloro-2-methylanilino)propanoate
CID 60666871
methyl (2S)-2-[(4-chloro-2-fluorophenyl)methylamino]propanoate
CID 104979957
N-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide
CID 67968196
2-(4-chloro-2-methylphenyl)-N-ethylacetamide
CID 142912369
2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide
CID 67968197
methyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-hydroxypropanoate
CID 43405682
methyl (2S)-2-[[2-(4-chloro-2-methoxyphenyl)acetyl]amino]-4-methylpentanoate
CID 57259362
(2R)-2-[(4-chloro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 91660689

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-chloro-2-methylphenyl)acetyl]amino]propanoate?
The IUPAC name of methyl 2-[[2-(4-chloro-2-methylphenyl)acetyl]amino]propanoate (CID 22104881) is methyl 2-[[2-(4-chloro-2-methylphenyl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[2-(4-chloro-2-methylphenyl)acetyl]amino]propanoate?
The canonical SMILES for methyl 2-[[2-(4-chloro-2-methylphenyl)acetyl]amino]propanoate is COC(=O)C(C)NC(=O)Cc1ccc(Cl)cc1C.
What is the InChIKey of methyl 2-[[2-(4-chloro-2-methylphenyl)acetyl]amino]propanoate?
The InChIKey is WMXUWFJCSCPIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-8-6-11(14)5-4-10(8)7-12(16)15-9(2)13(17)18-3/h4-6,9H,7H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-[[2-(4-chloro-2-methylphenyl)acetyl]amino]propanoate?
methyl 2-[[2-(4-chloro-2-methylphenyl)acetyl]amino]propanoate has a molecular weight of 269.73 g/mol, XLogP of 1.87, 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-chloro-2-methylphenyl)acetyl]amino]propanoate is sourced from PubChem (CID 22104881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).