benzyl 2-amino-3-(2-chloro-4-phenylphenyl)propanoate

C22H20ClNO2 — CID 174690151

IUPACbenzyl 2-amino-3-(2-chloro-4-phenylphenyl)propanoate
SMILESNC(Cc1ccc(-c2ccccc2)cc1Cl)C(=O)OCc1ccccc1
InChIInChI=1S/C22H20ClNO2/c23-20-13-18(17-9-5-2-6-10-17)11-12-19(20)14-21(24)22(25)26-15-16-7-3-1-4-8-16/h1-13,21H,14-15,24H2
InChIKeyPYPGFSPMHDSABZ-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.62
Rot. Bonds6

About benzyl 2-amino-3-(2-chloro-4-phenylphenyl)propanoate

benzyl 2-amino-3-(2-chloro-4-phenylphenyl)propanoate (PubChem CID 174690151) has the molecular formula C22H20ClNO2 and a molecular weight of 365.86 g/mol. Its IUPAC name is benzyl 2-amino-3-(2-chloro-4-phenylphenyl)propanoate.

Molecular Properties

Compound Namebenzyl 2-amino-3-(2-chloro-4-phenylphenyl)propanoate
PubChem CID174690151
Molecular FormulaC22H20ClNO2
Molecular Weight365.86 g/mol
Exact Mass365.12
IUPAC Namebenzyl 2-amino-3-(2-chloro-4-phenylphenyl)propanoate
SMILESNC(Cc1ccc(-c2ccccc2)cc1Cl)C(=O)OCc1ccccc1
InChIInChI=1S/C22H20ClNO2/c23-20-13-18(17-9-5-2-6-10-17)11-12-19(20)14-21(24)22(25)26-15-16-7-3-1-4-8-16/h1-13,21H,14-15,24H2
InChIKeyPYPGFSPMHDSABZ-UHFFFAOYSA-N
XLogP4.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoate
CID 54235669
benzyl (2R)-2-amino-3-iodopropanoate
CID 11623654
benzyl (2S)-2-amino-3-(2-methylphenyl)propanoate
CID 139716301
benzyl 2-amino-3-(2-bromophenyl)propanoate
CID 23133270
2-[2-chloro-4-(3-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516199
benzyl (2S)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 139716246
[2-[[(2R)-2-amino-3-phenylpropanoyl]oxymethyl]phenyl]methyl (2R)-2-amino-3-phenylpropanoate
CID 102020431
benzyl 2-amino-3-chloropropanoate;hydrochloride
CID 175069294
methyl 2-amino-3-(2-methyl-4-phenylphenyl)propanoate
CID 174643019
benzyl 2,3-diaminopropanoate
CID 19891176
benzyl 2-amino-4-iodobutanoate
CID 141050594
(3S)-3-amino-4-oxo-4-phenylmethoxybutanoate
CID 51722874

Frequently Asked Questions

What is the IUPAC name of benzyl 2-amino-3-(2-chloro-4-phenylphenyl)propanoate?
The IUPAC name of benzyl 2-amino-3-(2-chloro-4-phenylphenyl)propanoate (CID 174690151) is benzyl 2-amino-3-(2-chloro-4-phenylphenyl)propanoate.
What is the SMILES notation for benzyl 2-amino-3-(2-chloro-4-phenylphenyl)propanoate?
The canonical SMILES for benzyl 2-amino-3-(2-chloro-4-phenylphenyl)propanoate is NC(Cc1ccc(-c2ccccc2)cc1Cl)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-amino-3-(2-chloro-4-phenylphenyl)propanoate?
The InChIKey is PYPGFSPMHDSABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO2/c23-20-13-18(17-9-5-2-6-10-17)11-12-19(20)14-21(24)22(25)26-15-16-7-3-1-4-8-16/h1-13,21H,14-15,24H2.
What are the key properties of benzyl 2-amino-3-(2-chloro-4-phenylphenyl)propanoate?
benzyl 2-amino-3-(2-chloro-4-phenylphenyl)propanoate has a molecular weight of 365.86 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-amino-3-(2-chloro-4-phenylphenyl)propanoate is sourced from PubChem (CID 174690151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).