(4-chlorophenyl)methyl 2-amino-2-phenylpropanoate

C16H16ClNO2 — CID 65127341

IUPAC(4-chlorophenyl)methyl 2-amino-2-phenylpropanoate
SMILESCC(N)(C(=O)OCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-16(18,13-5-3-2-4-6-13)15(19)20-11-12-7-9-14(17)10-8-12/h2-10H,11,18H2,1H3
InChIKeyYCRRQKXOHNQCGX-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.26
Rot. Bonds4

About (4-chlorophenyl)methyl 2-amino-2-phenylpropanoate

(4-chlorophenyl)methyl 2-amino-2-phenylpropanoate (PubChem CID 65127341) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2-amino-2-phenylpropanoate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2-amino-2-phenylpropanoate
PubChem CID65127341
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name(4-chlorophenyl)methyl 2-amino-2-phenylpropanoate
SMILESCC(N)(C(=O)OCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-16(18,13-5-3-2-4-6-13)15(19)20-11-12-7-9-14(17)10-8-12/h2-10H,11,18H2,1H3
InChIKeyYCRRQKXOHNQCGX-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-amino-2-phenylpropanoate
CID 54322564
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
benzyl 2-amino-2-hydroxypropanoate
CID 67630480
(4-methylphenyl)methyl 2-hydroxy-2-phenylpropanoate
CID 177256002
(4-chlorophenyl)methyl 2-chloro-2,2-difluoroacetate
CID 10354991
benzyl 2-amino-2-methylpentanoate
CID 61276990
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
(4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16577341
benzyl (2S)-2-amino-2-methylbutanoate
CID 15660566
1-O-[(4-chlorophenyl)methyl] 3-O-ethyl 2,2-diethylpropanedioate
CID 91712632
2-ethoxyethyl 2-amino-2-phenylpropanoate
CID 62488733
benzyl (2R)-2-amino-2-pyridin-2-ylpropanoate
CID 91437658

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 2-amino-2-phenylpropanoate?
The IUPAC name of (4-chlorophenyl)methyl 2-amino-2-phenylpropanoate (CID 65127341) is (4-chlorophenyl)methyl 2-amino-2-phenylpropanoate.
What is the SMILES notation for (4-chlorophenyl)methyl 2-amino-2-phenylpropanoate?
The canonical SMILES for (4-chlorophenyl)methyl 2-amino-2-phenylpropanoate is CC(N)(C(=O)OCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (4-chlorophenyl)methyl 2-amino-2-phenylpropanoate?
The InChIKey is YCRRQKXOHNQCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-16(18,13-5-3-2-4-6-13)15(19)20-11-12-7-9-14(17)10-8-12/h2-10H,11,18H2,1H3.
What are the key properties of (4-chlorophenyl)methyl 2-amino-2-phenylpropanoate?
(4-chlorophenyl)methyl 2-amino-2-phenylpropanoate has a molecular weight of 289.76 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2-amino-2-phenylpropanoate is sourced from PubChem (CID 65127341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).