sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride

C9H11ClNNaO2 — CID 174870632

IUPACsodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
SMILESN[C@H](Cc1ccccc1)C(=O)O.[Cl-].[Na+]
InChIInChI=1S/C9H11NO2.ClH.Na/c10-8(9(11)12)6-7-4-2-1-3-5-7;;/h1-5,8H,6,10H2,(H,11,12);1H;/q;;+1/p-1/t8-;;/m1../s1
InChIKeyQNKLOLAWJQGTAQ-YCBDHFTFSA-M
MW223.64 g/mol
LogP-5.35
Rot. Bonds3

About sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride

sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride (PubChem CID 174870632) has the molecular formula C9H11ClNNaO2 and a molecular weight of 223.64 g/mol. Its IUPAC name is sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride.

Molecular Properties

Compound Namesodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
PubChem CID174870632
Molecular FormulaC9H11ClNNaO2
Molecular Weight223.64 g/mol
Exact Mass223.04
IUPAC Namesodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
SMILESN[C@H](Cc1ccccc1)C(=O)O.[Cl-].[Na+]
InChIInChI=1S/C9H11NO2.ClH.Na/c10-8(9(11)12)6-7-4-2-1-3-5-7;;/h1-5,8H,6,10H2,(H,11,12);1H;/q;;+1/p-1/t8-;;/m1../s1
InChIKeyQNKLOLAWJQGTAQ-YCBDHFTFSA-M
XLogP-5.35
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.64
LogP ≤ 5-5.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
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
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421

Frequently Asked Questions

What is the IUPAC name of sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride?
The IUPAC name of sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride (CID 174870632) is sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride.
What is the SMILES notation for sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride?
The canonical SMILES for sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride is N[C@H](Cc1ccccc1)C(=O)O.[Cl-].[Na+].
What is the InChIKey of sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride?
The InChIKey is QNKLOLAWJQGTAQ-YCBDHFTFSA-M. The full InChI is InChI=1S/C9H11NO2.ClH.Na/c10-8(9(11)12)6-7-4-2-1-3-5-7;;/h1-5,8H,6,10H2,(H,11,12);1H;/q;;+1/p-1/t8-;;/m1../s1.
What are the key properties of sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride?
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride has a molecular weight of 223.64 g/mol, XLogP of -5.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride is sourced from PubChem (CID 174870632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).