methyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoate

C16H16ClNO2 — CID 57045701

IUPACmethyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoate
SMILESCOC(=O)C(N)Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO2/c1-20-16(19)15(18)10-11-2-4-12(5-3-11)13-6-8-14(17)9-7-13/h2-9,15H,10,18H2,1H3
InChIKeySWJBPEXDUCZVHQ-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.05
Rot. Bonds4

About methyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoate

methyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoate (PubChem CID 57045701) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is methyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoate
PubChem CID57045701
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Namemethyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoate
SMILESCOC(=O)C(N)Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO2/c1-20-16(19)15(18)10-11-2-4-12(5-3-11)13-6-8-14(17)9-7-13/h2-9,15H,10,18H2,1H3
InChIKeySWJBPEXDUCZVHQ-UHFFFAOYSA-N
XLogP3.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate
CID 827422
methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate
CID 57296251
methyl (2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoate;hydrochloride
CID 66719586
methyl (2S)-3-[4-(4-acetylphenyl)phenyl]-2-aminopropanoate;hydrochloride
CID 46172850
methyl (2S)-2-amino-3-(4-pyridin-4-ylphenyl)propanoate
CID 66719580
(2S)-2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid
CID 70052884
2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid
CID 19094367
methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157
methyl 2-amino-3-[4-(2-chlorophenyl)phenyl]propanoate
CID 90923119
methyl 2-amino-3-[4-(3,4-dimethylphenyl)phenyl]propanoate
CID 170884102
2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid;hydrochloride
CID 70052889
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoate?
The IUPAC name of methyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoate (CID 57045701) is methyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoate?
The canonical SMILES for methyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoate is COC(=O)C(N)Cc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoate?
The InChIKey is SWJBPEXDUCZVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-20-16(19)15(18)10-11-2-4-12(5-3-11)13-6-8-14(17)9-7-13/h2-9,15H,10,18H2,1H3.
What are the key properties of methyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoate?
methyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoate has a molecular weight of 289.76 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoate is sourced from PubChem (CID 57045701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).