2-amino-2-phenylacetic acid;carbamic acid

C9H12N2O4 — CID 159174170

IUPAC2-amino-2-phenylacetic acid;carbamic acid
SMILESNC(=O)O.NC(C(=O)O)c1ccccc1
InChIInChI=1S/C8H9NO2.CH3NO2/c9-7(8(10)11)6-4-2-1-3-5-6;2-1(3)4/h1-5,7H,9H2,(H,10,11);2H2,(H,3,4)
InChIKeyKMBLLLJKWXGANC-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.39
Rot. Bonds2

About 2-amino-2-phenylacetic acid;carbamic acid

2-amino-2-phenylacetic acid;carbamic acid (PubChem CID 159174170) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-amino-2-phenylacetic acid;carbamic acid.

Molecular Properties

Compound Name2-amino-2-phenylacetic acid;carbamic acid
PubChem CID159174170
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name2-amino-2-phenylacetic acid;carbamic acid
SMILESNC(=O)O.NC(C(=O)O)c1ccccc1
InChIInChI=1S/C8H9NO2.CH3NO2/c9-7(8(10)11)6-4-2-1-3-5-6;2-1(3)4/h1-5,7H,9H2,(H,10,11);2H2,(H,3,4)
InChIKeyKMBLLLJKWXGANC-UHFFFAOYSA-N
XLogP0.39
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
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CID 172809734
sodium;(2S)-2-amino-2-phenylacetic acid;carbanide
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(2S)-2-amino-3,3-diphenylpropanoic acid;carbamic acid
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(2R)-2-amino-2-(3-bromophenyl)acetic acid
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2-phenyl-2-sulfanylacetamide
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2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid
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2-amino-2-phenylacetyl chloride;hydron;chloride
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2-amino-2-(4-iodophenyl)acetic acid;hydrochloride
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2-amino-2-pyridin-4-ylacetic acid;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenylacetic acid;carbamic acid?
The IUPAC name of 2-amino-2-phenylacetic acid;carbamic acid (CID 159174170) is 2-amino-2-phenylacetic acid;carbamic acid.
What is the SMILES notation for 2-amino-2-phenylacetic acid;carbamic acid?
The canonical SMILES for 2-amino-2-phenylacetic acid;carbamic acid is NC(=O)O.NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-amino-2-phenylacetic acid;carbamic acid?
The InChIKey is KMBLLLJKWXGANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.CH3NO2/c9-7(8(10)11)6-4-2-1-3-5-6;2-1(3)4/h1-5,7H,9H2,(H,10,11);2H2,(H,3,4).
What are the key properties of 2-amino-2-phenylacetic acid;carbamic acid?
2-amino-2-phenylacetic acid;carbamic acid has a molecular weight of 212.21 g/mol, XLogP of 0.39, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenylacetic acid;carbamic acid is sourced from PubChem (CID 159174170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).