methyl 4-amino-5-(3-chlorophenyl)pentanoate

C12H16ClNO2 — CID 62962583

IUPACmethyl 4-amino-5-(3-chlorophenyl)pentanoate
SMILESCOC(=O)CCC(N)Cc1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-16-12(15)6-5-11(14)8-9-3-2-4-10(13)7-9/h2-4,7,11H,5-6,8,14H2,1H3
InChIKeyJLTDZDFOAJLPFH-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.16
Rot. Bonds5

About methyl 4-amino-5-(3-chlorophenyl)pentanoate

methyl 4-amino-5-(3-chlorophenyl)pentanoate (PubChem CID 62962583) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is methyl 4-amino-5-(3-chlorophenyl)pentanoate.

Molecular Properties

Compound Namemethyl 4-amino-5-(3-chlorophenyl)pentanoate
PubChem CID62962583
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Namemethyl 4-amino-5-(3-chlorophenyl)pentanoate
SMILESCOC(=O)CCC(N)Cc1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO2/c1-16-12(15)6-5-11(14)8-9-3-2-4-10(13)7-9/h2-4,7,11H,5-6,8,14H2,1H3
InChIKeyJLTDZDFOAJLPFH-UHFFFAOYSA-N
XLogP2.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-amino-5-(3,4-dichlorophenyl)pentanoate
CID 55152924
methyl 6-(3-chlorophenyl)-5-methylhexanoate
CID 174399912
1-(3-chlorophenyl)-4-methylsulfonylbutan-2-amine
CID 62606260
methyl 2-amino-6-(3-chlorophenyl)-5-methylhexanoate
CID 174512826
methyl 4-amino-5-(4-methylphenyl)pentanoate
CID 62960950
methyl 2-bromo-3-(3-chlorophenyl)propanoate
CID 43826387
methyl 4-amino-5-(3-fluoro-4-methylphenyl)pentanoate
CID 63644528
[(2S)-2-amino-3-(3-chlorophenyl)propyl] carbamate
CID 70099288
methyl 2-[(3-chlorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952814
methyl 10-amino-11-phenylundecanoate;hydrochloride
CID 141254127
methyl (2S)-2-acetamido-3-(3-chlorophenyl)propanoate
CID 11219042
methyl 4-[2-(3-chlorophenyl)ethylamino]-4-oxobutanoate
CID 94696577

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-(3-chlorophenyl)pentanoate?
The IUPAC name of methyl 4-amino-5-(3-chlorophenyl)pentanoate (CID 62962583) is methyl 4-amino-5-(3-chlorophenyl)pentanoate.
What is the SMILES notation for methyl 4-amino-5-(3-chlorophenyl)pentanoate?
The canonical SMILES for methyl 4-amino-5-(3-chlorophenyl)pentanoate is COC(=O)CCC(N)Cc1cccc(Cl)c1.
What is the InChIKey of methyl 4-amino-5-(3-chlorophenyl)pentanoate?
The InChIKey is JLTDZDFOAJLPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-16-12(15)6-5-11(14)8-9-3-2-4-10(13)7-9/h2-4,7,11H,5-6,8,14H2,1H3.
What are the key properties of methyl 4-amino-5-(3-chlorophenyl)pentanoate?
methyl 4-amino-5-(3-chlorophenyl)pentanoate has a molecular weight of 241.72 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-(3-chlorophenyl)pentanoate is sourced from PubChem (CID 62962583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).