sodium;4-amino-2-phenylbutanoic acid;hydride

C10H14NNaO2 — CID 174638608

IUPACsodium;4-amino-2-phenylbutanoic acid;hydride
SMILESNCCC(C(=O)O)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C10H13NO2.Na.H/c11-7-6-9(10(12)13)8-4-2-1-3-5-8;;/h1-5,9H,6-7,11H2,(H,12,13);;/q;+1;-1
InChIKeyPIXHJQMWURAHGI-UHFFFAOYSA-N
MW203.22 g/mol
LogP-1.68
Rot. Bonds4

About sodium;4-amino-2-phenylbutanoic acid;hydride

sodium;4-amino-2-phenylbutanoic acid;hydride (PubChem CID 174638608) has the molecular formula C10H14NNaO2 and a molecular weight of 203.22 g/mol. Its IUPAC name is sodium;4-amino-2-phenylbutanoic acid;hydride.

Molecular Properties

Compound Namesodium;4-amino-2-phenylbutanoic acid;hydride
PubChem CID174638608
Molecular FormulaC10H14NNaO2
Molecular Weight203.22 g/mol
Exact Mass203.09
IUPAC Namesodium;4-amino-2-phenylbutanoic acid;hydride
SMILESNCCC(C(=O)O)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C10H13NO2.Na.H/c11-7-6-9(10(12)13)8-4-2-1-3-5-8;;/h1-5,9H,6-7,11H2,(H,12,13);;/q;+1;-1
InChIKeyPIXHJQMWURAHGI-UHFFFAOYSA-N
XLogP-1.68
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 5-1.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-amino-2-phenylbutanoate;hydrochloride
CID 66905089
5-hydroxy-2-phenylpentanoic acid
CID 79006638
4-amino-2-(2-fluorophenyl)butanoic acid
CID 82158228
4-amino-N'-hydroxy-2-phenylbutanimidamide
CID 141138558
7-methyl-2-phenyloctanoic acid
CID 83162771
(2S)-2,5-diphenylpentanoic acid
CID 7054365
(2S)-2-phenylhex-5-enoic acid
CID 92982258
6-iodo-2-phenylhexanoic acid
CID 134916404
4-amino-N-(2-methylpropyl)-2-phenylbutanamide
CID 112515492
2-phenyl-3-phosphanylpropanoic acid
CID 174900432
2-phenylbutanedioic acid
CID 161009404
2-phenyloctadecanedioic acid
CID 23016344

Frequently Asked Questions

What is the IUPAC name of sodium;4-amino-2-phenylbutanoic acid;hydride?
The IUPAC name of sodium;4-amino-2-phenylbutanoic acid;hydride (CID 174638608) is sodium;4-amino-2-phenylbutanoic acid;hydride.
What is the SMILES notation for sodium;4-amino-2-phenylbutanoic acid;hydride?
The canonical SMILES for sodium;4-amino-2-phenylbutanoic acid;hydride is NCCC(C(=O)O)c1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;4-amino-2-phenylbutanoic acid;hydride?
The InChIKey is PIXHJQMWURAHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.Na.H/c11-7-6-9(10(12)13)8-4-2-1-3-5-8;;/h1-5,9H,6-7,11H2,(H,12,13);;/q;+1;-1.
What are the key properties of sodium;4-amino-2-phenylbutanoic acid;hydride?
sodium;4-amino-2-phenylbutanoic acid;hydride has a molecular weight of 203.22 g/mol, XLogP of -1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-amino-2-phenylbutanoic acid;hydride is sourced from PubChem (CID 174638608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).