methyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate

C14H18ClNO3 — CID 112533158

IUPACmethyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate
SMILESCCC(CC(=O)OC)NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO3/c1-3-12(9-14(18)19-2)16-13(17)8-10-5-4-6-11(15)7-10/h4-7,12H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyJAMCNGPLWHUUAJ-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.34
Rot. Bonds6

About methyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate

methyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate (PubChem CID 112533158) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is methyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate
PubChem CID112533158
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Namemethyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate
SMILESCCC(CC(=O)OC)NC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO3/c1-3-12(9-14(18)19-2)16-13(17)8-10-5-4-6-11(15)7-10/h4-7,12H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyJAMCNGPLWHUUAJ-UHFFFAOYSA-N
XLogP2.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N-[(3R)-1,1,1-trifluoropentan-3-yl]acetamide
CID 99783550
2-(3-chlorophenyl)-N-hex-5-yn-3-ylacetamide
CID 115647113
(2S)-2-[[2-(3-chlorophenyl)acetyl]amino]-3-methylpentanoic acid
CID 62504934
N-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide
CID 106184117
2-(3-chlorophenyl)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 100622666
N-(1-bromo-4-methoxybutan-2-yl)-2-(3-chlorophenyl)acetamide
CID 114212001
2-[[2-(3-chlorophenyl)acetyl]amino]-4-methoxybutanoic acid
CID 62503567
(3R)-3-[[2-(3-chlorophenyl)acetyl]amino]-5-phenylpentanoic acid
CID 53340951
N-(1-bromobutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114307701
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(3-chlorophenyl)acetamide
CID 62505107
4-(3-chlorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid
CID 67362285
1-(3-chlorophenyl)-4-methylhexan-2-one
CID 62621128

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate?
The IUPAC name of methyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate (CID 112533158) is methyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate.
What is the SMILES notation for methyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate?
The canonical SMILES for methyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate is CCC(CC(=O)OC)NC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of methyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate?
The InChIKey is JAMCNGPLWHUUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-3-12(9-14(18)19-2)16-13(17)8-10-5-4-6-11(15)7-10/h4-7,12H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of methyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate?
methyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate has a molecular weight of 283.75 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 methyl 3-[[2-(3-chlorophenyl)acetyl]amino]pentanoate is sourced from PubChem (CID 112533158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).