cyclopropylmethyl 2-[[2-(3-chlorophenyl)acetyl]amino]propanoate

C15H18ClNO3 — CID 22491974

IUPACcyclopropylmethyl 2-[[2-(3-chlorophenyl)acetyl]amino]propanoate
SMILESCC(NC(=O)Cc1cccc(Cl)c1)C(=O)OCC1CC1
InChIInChI=1S/C15H18ClNO3/c1-10(15(19)20-9-11-5-6-11)17-14(18)8-12-3-2-4-13(16)7-12/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,17,18)
InChIKeyQGVPMDRYCDMTJY-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.34
Rot. Bonds6

About cyclopropylmethyl 2-[[2-(3-chlorophenyl)acetyl]amino]propanoate

cyclopropylmethyl 2-[[2-(3-chlorophenyl)acetyl]amino]propanoate (PubChem CID 22491974) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is cyclopropylmethyl 2-[[2-(3-chlorophenyl)acetyl]amino]propanoate.

Molecular Properties

Compound Namecyclopropylmethyl 2-[[2-(3-chlorophenyl)acetyl]amino]propanoate
PubChem CID22491974
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Namecyclopropylmethyl 2-[[2-(3-chlorophenyl)acetyl]amino]propanoate
SMILESCC(NC(=O)Cc1cccc(Cl)c1)C(=O)OCC1CC1
InChIInChI=1S/C15H18ClNO3/c1-10(15(19)20-9-11-5-6-11)17-14(18)8-12-3-2-4-13(16)7-12/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,17,18)
InChIKeyQGVPMDRYCDMTJY-UHFFFAOYSA-N
XLogP2.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenyl)acetamide;hydrochloride
CID 120505616
N-[1-(3-aminophenyl)ethyl]-2-(3-chlorophenyl)acetamide
CID 62504759
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(3-chlorophenyl)acetamide
CID 62505107
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 62504081
(2S)-2-[[2-(3-chlorophenyl)acetyl]amino]-3-methylpentanoic acid
CID 62504934
(2S,3R)-2-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid
CID 94460369
cyclopropylmethyl 2-(2,6-diethylanilino)propanoate
CID 20574854
N-(1-bromo-4-methoxybutan-2-yl)-2-(3-chlorophenyl)acetamide
CID 114212001
3-amino-1-(3-chlorophenyl)-4-methylpentan-2-one
CID 116548985
5-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
CID 82854339
methyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate
CID 112533158
N-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide
CID 106184117

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-[[2-(3-chlorophenyl)acetyl]amino]propanoate?
The IUPAC name of cyclopropylmethyl 2-[[2-(3-chlorophenyl)acetyl]amino]propanoate (CID 22491974) is cyclopropylmethyl 2-[[2-(3-chlorophenyl)acetyl]amino]propanoate.
What is the SMILES notation for cyclopropylmethyl 2-[[2-(3-chlorophenyl)acetyl]amino]propanoate?
The canonical SMILES for cyclopropylmethyl 2-[[2-(3-chlorophenyl)acetyl]amino]propanoate is CC(NC(=O)Cc1cccc(Cl)c1)C(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 2-[[2-(3-chlorophenyl)acetyl]amino]propanoate?
The InChIKey is QGVPMDRYCDMTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-10(15(19)20-9-11-5-6-11)17-14(18)8-12-3-2-4-13(16)7-12/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,17,18).
What are the key properties of cyclopropylmethyl 2-[[2-(3-chlorophenyl)acetyl]amino]propanoate?
cyclopropylmethyl 2-[[2-(3-chlorophenyl)acetyl]amino]propanoate has a molecular weight of 295.77 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-[[2-(3-chlorophenyl)acetyl]amino]propanoate is sourced from PubChem (CID 22491974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).