CID 70476310

C9H21NNaO7 — CID 70476310

IUPAC—
SMILESN[C@@H](Cc1ccccc1)C(=O)O.O.O.O.O.O.[Na]
InChIInChI=1S/C9H11NO2.Na.5H2O/c10-8(9(11)12)6-7-4-2-1-3-5-7;;;;;;/h1-5,8H,6,10H2,(H,11,12);;5*1H2/t8-;;;;;;/m0....../s1
InChIKeyOXOIFZVQCYLLIV-BXOSLQCASA-N
MW278.26 g/mol
LogP-3.86
Rot. Bonds3

About CID 70476310

CID 70476310 (PubChem CID 70476310) has the molecular formula C9H21NNaO7 and a molecular weight of 278.26 g/mol.

Molecular Properties

Compound NameCID 70476310
PubChem CID70476310
Molecular FormulaC9H21NNaO7
Molecular Weight278.26 g/mol
Exact Mass278.12
IUPAC Name—
SMILESN[C@@H](Cc1ccccc1)C(=O)O.O.O.O.O.O.[Na]
InChIInChI=1S/C9H11NO2.Na.5H2O/c10-8(9(11)12)6-7-4-2-1-3-5-7;;;;;;/h1-5,8H,6,10H2,(H,11,12);;5*1H2/t8-;;;;;;/m0....../s1
InChIKeyOXOIFZVQCYLLIV-BXOSLQCASA-N
XLogP-3.86
TPSA220.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 5-3.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-amino-3-phenylpropanoic acid;azane
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(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
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CID 175107963
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CID 161384193
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632
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
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(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421

Frequently Asked Questions

What is the IUPAC name of CID 70476310?
The IUPAC name of CID 70476310 (CID 70476310) is not available.
What is the SMILES notation for CID 70476310?
The canonical SMILES for CID 70476310 is N[C@@H](Cc1ccccc1)C(=O)O.O.O.O.O.O.[Na].
What is the InChIKey of CID 70476310?
The InChIKey is OXOIFZVQCYLLIV-BXOSLQCASA-N. The full InChI is InChI=1S/C9H11NO2.Na.5H2O/c10-8(9(11)12)6-7-4-2-1-3-5-7;;;;;;/h1-5,8H,6,10H2,(H,11,12);;5*1H2/t8-;;;;;;/m0....../s1.
What are the key properties of CID 70476310?
CID 70476310 has a molecular weight of 278.26 g/mol, XLogP of -3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70476310 is sourced from PubChem (CID 70476310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).