2-amino-3-phenylpropanoic acid;nitrous acid

C9H12N2O4 — CID 54766273

IUPAC2-amino-3-phenylpropanoic acid;nitrous acid
SMILESNC(Cc1ccccc1)C(=O)O.O=NO
InChIInChI=1S/C9H11NO2.HNO2/c10-8(9(11)12)6-7-4-2-1-3-5-7;2-1-3/h1-5,8H,6,10H2,(H,11,12);(H,2,3)
InChIKeyXFEANWHUMDQXSA-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.78
Rot. Bonds3

About 2-amino-3-phenylpropanoic acid;nitrous acid

2-amino-3-phenylpropanoic acid;nitrous acid (PubChem CID 54766273) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-amino-3-phenylpropanoic acid;nitrous acid.

Molecular Properties

Compound Name2-amino-3-phenylpropanoic acid;nitrous acid
PubChem CID54766273
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name2-amino-3-phenylpropanoic acid;nitrous acid
SMILESNC(Cc1ccccc1)C(=O)O.O=NO
InChIInChI=1S/C9H11NO2.HNO2/c10-8(9(11)12)6-7-4-2-1-3-5-7;2-1-3/h1-5,8H,6,10H2,(H,11,12);(H,2,3)
InChIKeyXFEANWHUMDQXSA-UHFFFAOYSA-N
XLogP0.78
TPSA112.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632
CID 70476310
CID 70476310
acetylene;(2S)-2-amino-3-phenylpropanoic acid
CID 158164827
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
alumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride
CID 173334199

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenylpropanoic acid;nitrous acid?
The IUPAC name of 2-amino-3-phenylpropanoic acid;nitrous acid (CID 54766273) is 2-amino-3-phenylpropanoic acid;nitrous acid.
What is the SMILES notation for 2-amino-3-phenylpropanoic acid;nitrous acid?
The canonical SMILES for 2-amino-3-phenylpropanoic acid;nitrous acid is NC(Cc1ccccc1)C(=O)O.O=NO.
What is the InChIKey of 2-amino-3-phenylpropanoic acid;nitrous acid?
The InChIKey is XFEANWHUMDQXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.HNO2/c10-8(9(11)12)6-7-4-2-1-3-5-7;2-1-3/h1-5,8H,6,10H2,(H,11,12);(H,2,3).
What are the key properties of 2-amino-3-phenylpropanoic acid;nitrous acid?
2-amino-3-phenylpropanoic acid;nitrous acid has a molecular weight of 212.21 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenylpropanoic acid;nitrous acid is sourced from PubChem (CID 54766273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).