benzyl 2-amino-2-phenylpropanoate

C16H17NO2 — CID 54322564

IUPACbenzyl 2-amino-2-phenylpropanoate
SMILESCC(N)(C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-16(17,14-10-6-3-7-11-14)15(18)19-12-13-8-4-2-5-9-13/h2-11H,12,17H2,1H3
InChIKeySSQKNXNXUGKABA-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.60
Rot. Bonds4

About benzyl 2-amino-2-phenylpropanoate

benzyl 2-amino-2-phenylpropanoate (PubChem CID 54322564) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is benzyl 2-amino-2-phenylpropanoate.

Molecular Properties

Compound Namebenzyl 2-amino-2-phenylpropanoate
PubChem CID54322564
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namebenzyl 2-amino-2-phenylpropanoate
SMILESCC(N)(C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO2/c1-16(17,14-10-6-3-7-11-14)15(18)19-12-13-8-4-2-5-9-13/h2-11H,12,17H2,1H3
InChIKeySSQKNXNXUGKABA-UHFFFAOYSA-N
XLogP2.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)methyl 2-amino-2-phenylpropanoate
CID 65127341
benzyl 2-amino-2-hydroxypropanoate
CID 67630480
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
benzyl (2S)-2-amino-2-methylbutanoate
CID 15660566
benzyl (2R)-2-amino-2-pyridin-2-ylpropanoate
CID 91437658
benzyl (2S)-2-hydroxy-2-phenylbutanoate
CID 155930279
benzyl 2,3-diamino-2-phenylpropanoate
CID 57017654
benzyl 2-amino-2-methylpentanoate
CID 61276990
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
1-O-benzyl 4-O-ethyl (2S)-2-amino-2-methylbutanedioate
CID 101047093
benzyl 2,2,3,3-tetrafluoro-3-phenylpropanoate
CID 118000580
2-ethoxyethyl 2-amino-2-phenylpropanoate
CID 62488733

Frequently Asked Questions

What is the IUPAC name of benzyl 2-amino-2-phenylpropanoate?
The IUPAC name of benzyl 2-amino-2-phenylpropanoate (CID 54322564) is benzyl 2-amino-2-phenylpropanoate.
What is the SMILES notation for benzyl 2-amino-2-phenylpropanoate?
The canonical SMILES for benzyl 2-amino-2-phenylpropanoate is CC(N)(C(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl 2-amino-2-phenylpropanoate?
The InChIKey is SSQKNXNXUGKABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-16(17,14-10-6-3-7-11-14)15(18)19-12-13-8-4-2-5-9-13/h2-11H,12,17H2,1H3.
What are the key properties of benzyl 2-amino-2-phenylpropanoate?
benzyl 2-amino-2-phenylpropanoate has a molecular weight of 255.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-amino-2-phenylpropanoate is sourced from PubChem (CID 54322564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).