CID 172809734

C8H9NNaO2 — CID 172809734

IUPAC—
SMILESN[C@H](C(=O)O)c1ccccc1.[Na]
InChIInChI=1S/C8H9NO2.Na/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5,7H,9H2,(H,10,11);/t7-;/m0./s1
InChIKeyRZVNMMLXLKRPFA-FJXQXJEOSA-N
MW174.16 g/mol
LogP0.39
Rot. Bonds2

About CID 172809734

CID 172809734 (PubChem CID 172809734) has the molecular formula C8H9NNaO2 and a molecular weight of 174.16 g/mol.

Molecular Properties

Compound NameCID 172809734
PubChem CID172809734
Molecular FormulaC8H9NNaO2
Molecular Weight174.16 g/mol
Exact Mass174.05
IUPAC Name—
SMILESN[C@H](C(=O)O)c1ccccc1.[Na]
InChIInChI=1S/C8H9NO2.Na/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5,7H,9H2,(H,10,11);/t7-;/m0./s1
InChIKeyRZVNMMLXLKRPFA-FJXQXJEOSA-N
XLogP0.39
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-amino-2-pyridin-4-ylacetic acid;hydrochloride
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2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of CID 172809734?
The IUPAC name of CID 172809734 (CID 172809734) is not available.
What is the SMILES notation for CID 172809734?
The canonical SMILES for CID 172809734 is N[C@H](C(=O)O)c1ccccc1.[Na].
What is the InChIKey of CID 172809734?
The InChIKey is RZVNMMLXLKRPFA-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H9NO2.Na/c9-7(8(10)11)6-4-2-1-3-5-6;/h1-5,7H,9H2,(H,10,11);/t7-;/m0./s1.
What are the key properties of CID 172809734?
CID 172809734 has a molecular weight of 174.16 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172809734 is sourced from PubChem (CID 172809734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).