2-amino-2-phenylacetic acid;benzene

C14H15NO2 — CID 18446848

IUPAC2-amino-2-phenylacetic acid;benzene
SMILESNC(C(=O)O)c1ccccc1.c1ccccc1
InChIInChI=1S/C8H9NO2.C6H6/c9-7(8(10)11)6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5,7H,9H2,(H,10,11);1-6H
InChIKeyLSUQNHDIZCZZIL-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.46
Rot. Bonds2

About 2-amino-2-phenylacetic acid;benzene

2-amino-2-phenylacetic acid;benzene (PubChem CID 18446848) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-amino-2-phenylacetic acid;benzene.

Molecular Properties

Compound Name2-amino-2-phenylacetic acid;benzene
PubChem CID18446848
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-amino-2-phenylacetic acid;benzene
SMILESNC(C(=O)O)c1ccccc1.c1ccccc1
InChIInChI=1S/C8H9NO2.C6H6/c9-7(8(10)11)6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5,7H,9H2,(H,10,11);1-6H
InChIKeyLSUQNHDIZCZZIL-UHFFFAOYSA-N
XLogP2.46
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
CID 172809734
CID 172809734
sodium;(2S)-2-amino-2-phenylacetic acid;carbanide
CID 175955614
2-amino-2-phenylacetic acid;carbamic acid
CID 159174170
(2R)-2-amino-2-(3-bromophenyl)acetic acid
CID 7033009
(2R)-2-amino-2-phenylacetic acid;2-(N-methylanilino)acetic acid
CID 70231185
2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid
CID 22326285
2-amino-2-(4-iodophenyl)acetic acid;hydrochloride
CID 67151724
2-amino-2-phenylacetyl chloride;hydron;chloride
CID 51056098
2-amino-2-pyridin-4-ylacetic acid;hydrochloride
CID 42614333
2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid
CID 155934555
2-amino-2-deuterio-2-phenylacetic acid
CID 165358860

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenylacetic acid;benzene?
The IUPAC name of 2-amino-2-phenylacetic acid;benzene (CID 18446848) is 2-amino-2-phenylacetic acid;benzene.
What is the SMILES notation for 2-amino-2-phenylacetic acid;benzene?
The canonical SMILES for 2-amino-2-phenylacetic acid;benzene is NC(C(=O)O)c1ccccc1.c1ccccc1.
What is the InChIKey of 2-amino-2-phenylacetic acid;benzene?
The InChIKey is LSUQNHDIZCZZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C6H6/c9-7(8(10)11)6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5,7H,9H2,(H,10,11);1-6H.
What are the key properties of 2-amino-2-phenylacetic acid;benzene?
2-amino-2-phenylacetic acid;benzene has a molecular weight of 229.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenylacetic acid;benzene is sourced from PubChem (CID 18446848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).