(benzylideneamino) (2S)-2-amino-2-phenylacetate

C15H14N2O2 — CID 88780612

IUPAC(benzylideneamino) (2S)-2-amino-2-phenylacetate
SMILESN[C@H](C(=O)ON=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H14N2O2/c16-14(13-9-5-2-6-10-13)15(18)19-17-11-12-7-3-1-4-8-12/h1-11,14H,16H2/t14-/m0/s1
InChIKeyBDARCQUKPNKTHI-AWEZNQCLSA-N
MW254.29 g/mol
LogP2.26
Rot. Bonds4

About (benzylideneamino) (2S)-2-amino-2-phenylacetate

(benzylideneamino) (2S)-2-amino-2-phenylacetate (PubChem CID 88780612) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is (benzylideneamino) (2S)-2-amino-2-phenylacetate.

Molecular Properties

Compound Name(benzylideneamino) (2S)-2-amino-2-phenylacetate
PubChem CID88780612
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name(benzylideneamino) (2S)-2-amino-2-phenylacetate
SMILESN[C@H](C(=O)ON=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H14N2O2/c16-14(13-9-5-2-6-10-13)15(18)19-17-11-12-7-3-1-4-8-12/h1-11,14H,16H2/t14-/m0/s1
InChIKeyBDARCQUKPNKTHI-AWEZNQCLSA-N
XLogP2.26
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-2-phenylacetate;methyl 2-(benzylideneamino)-2-phenylacetate
CID 158119010
2-amino-2-phenylacetic acid;carbamic acid
CID 159174170
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-phenylacetic acid;benzene
CID 18446848
benzenesulfonyl 2-amino-2-phenylacetate
CID 88833144
[(E)-(4-hydroxyphenyl)methylideneamino] benzoate
CID 135572086
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
N-(benzylideneamino)oxybenzamide
CID 54442905
CID 172809734
CID 172809734
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
[(4-bromophenyl)methylideneamino] 3-phenylpropanoate
CID 3875535
sodium;(2S)-2-amino-2-phenylacetic acid;carbanide
CID 175955614

Frequently Asked Questions

What is the IUPAC name of (benzylideneamino) (2S)-2-amino-2-phenylacetate?
The IUPAC name of (benzylideneamino) (2S)-2-amino-2-phenylacetate (CID 88780612) is (benzylideneamino) (2S)-2-amino-2-phenylacetate.
What is the SMILES notation for (benzylideneamino) (2S)-2-amino-2-phenylacetate?
The canonical SMILES for (benzylideneamino) (2S)-2-amino-2-phenylacetate is N[C@H](C(=O)ON=Cc1ccccc1)c1ccccc1.
What is the InChIKey of (benzylideneamino) (2S)-2-amino-2-phenylacetate?
The InChIKey is BDARCQUKPNKTHI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14N2O2/c16-14(13-9-5-2-6-10-13)15(18)19-17-11-12-7-3-1-4-8-12/h1-11,14H,16H2/t14-/m0/s1.
What are the key properties of (benzylideneamino) (2S)-2-amino-2-phenylacetate?
(benzylideneamino) (2S)-2-amino-2-phenylacetate has a molecular weight of 254.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (benzylideneamino) (2S)-2-amino-2-phenylacetate is sourced from PubChem (CID 88780612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).