sodium (2S)-5-hydroxy-5-oxo-2-(propan-2-ylamino)pentanoate

C8H14NNaO4 — CID 134938795

IUPACsodium (2S)-5-hydroxy-5-oxo-2-(propan-2-ylamino)pentanoate
SMILESCC(C)N[C@@H](CCC(=O)O)C(=O)[O-].[Na+]
InChIInChI=1S/C8H15NO4.Na/c1-5(2)9-6(8(12)13)3-4-7(10)11;/h5-6,9H,3-4H2,1-2H3,(H,10,11)(H,12,13);/q;+1/p-1/t6-;/m0./s1
InChIKeyNOUXZESBORZHPI-RGMNGODLSA-M
MW211.19 g/mol
LogP-4.03
Rot. Bonds6

About sodium (2S)-5-hydroxy-5-oxo-2-(propan-2-ylamino)pentanoate

sodium (2S)-5-hydroxy-5-oxo-2-(propan-2-ylamino)pentanoate (PubChem CID 134938795) has the molecular formula C8H14NNaO4 and a molecular weight of 211.19 g/mol. Its IUPAC name is sodium (2S)-5-hydroxy-5-oxo-2-(propan-2-ylamino)pentanoate.

Molecular Properties

Compound Namesodium (2S)-5-hydroxy-5-oxo-2-(propan-2-ylamino)pentanoate
PubChem CID134938795
Molecular FormulaC8H14NNaO4
Molecular Weight211.19 g/mol
Exact Mass211.08
IUPAC Namesodium (2S)-5-hydroxy-5-oxo-2-(propan-2-ylamino)pentanoate
SMILESCC(C)N[C@@H](CCC(=O)O)C(=O)[O-].[Na+]
InChIInChI=1S/C8H15NO4.Na/c1-5(2)9-6(8(12)13)3-4-7(10)11;/h5-6,9H,3-4H2,1-2H3,(H,10,11)(H,12,13);/q;+1/p-1/t6-;/m0./s1
InChIKeyNOUXZESBORZHPI-RGMNGODLSA-M
XLogP-4.03
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 5-4.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze sodium (2S)-5-hydroxy-5-oxo-2-(propan-2-ylamino)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium (2S)-5-hydroxy-5-oxo-2-(propan-2-ylamino)pentanoate?
The IUPAC name of sodium (2S)-5-hydroxy-5-oxo-2-(propan-2-ylamino)pentanoate (CID 134938795) is sodium (2S)-5-hydroxy-5-oxo-2-(propan-2-ylamino)pentanoate.
What is the SMILES notation for sodium (2S)-5-hydroxy-5-oxo-2-(propan-2-ylamino)pentanoate?
The canonical SMILES for sodium (2S)-5-hydroxy-5-oxo-2-(propan-2-ylamino)pentanoate is CC(C)N[C@@H](CCC(=O)O)C(=O)[O-].[Na+].
What is the InChIKey of sodium (2S)-5-hydroxy-5-oxo-2-(propan-2-ylamino)pentanoate?
The InChIKey is NOUXZESBORZHPI-RGMNGODLSA-M. The full InChI is InChI=1S/C8H15NO4.Na/c1-5(2)9-6(8(12)13)3-4-7(10)11;/h5-6,9H,3-4H2,1-2H3,(H,10,11)(H,12,13);/q;+1/p-1/t6-;/m0./s1.
What are the key properties of sodium (2S)-5-hydroxy-5-oxo-2-(propan-2-ylamino)pentanoate?
sodium (2S)-5-hydroxy-5-oxo-2-(propan-2-ylamino)pentanoate has a molecular weight of 211.19 g/mol, XLogP of -4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2S)-5-hydroxy-5-oxo-2-(propan-2-ylamino)pentanoate is sourced from PubChem (CID 134938795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).