sodium (2S)-5-hydroxy-5-oxo-2-(propylamino)pentanoate

C8H14NNaO4 — CID 134970196

IUPACsodium (2S)-5-hydroxy-5-oxo-2-(propylamino)pentanoate
SMILESCCCN[C@@H](CCC(=O)O)C(=O)[O-].[Na+]
InChIInChI=1S/C8H15NO4.Na/c1-2-5-9-6(8(12)13)3-4-7(10)11;/h6,9H,2-5H2,1H3,(H,10,11)(H,12,13);/q;+1/p-1/t6-;/m0./s1
InChIKeyCSUGMXGOEYOQJT-RGMNGODLSA-M
MW211.19 g/mol
LogP-4.03
Rot. Bonds7

About sodium (2S)-5-hydroxy-5-oxo-2-(propylamino)pentanoate

sodium (2S)-5-hydroxy-5-oxo-2-(propylamino)pentanoate (PubChem CID 134970196) 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-(propylamino)pentanoate.

Molecular Properties

Compound Namesodium (2S)-5-hydroxy-5-oxo-2-(propylamino)pentanoate
PubChem CID134970196
Molecular FormulaC8H14NNaO4
Molecular Weight211.19 g/mol
Exact Mass211.08
IUPAC Namesodium (2S)-5-hydroxy-5-oxo-2-(propylamino)pentanoate
SMILESCCCN[C@@H](CCC(=O)O)C(=O)[O-].[Na+]
InChIInChI=1S/C8H15NO4.Na/c1-2-5-9-6(8(12)13)3-4-7(10)11;/h6,9H,2-5H2,1H3,(H,10,11)(H,12,13);/q;+1/p-1/t6-;/m0./s1
InChIKeyCSUGMXGOEYOQJT-RGMNGODLSA-M
XLogP-4.03
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

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Related Compounds

N-acetyl-L-glutamic acid
CID 70914
N-acetylglutamic acid
CID 185
Saccharopine
CID 160556
N-methyl-L-glutamic acid
CID 439377
Alanylglutamic acid
CID 128841
N-methylglutamic acid
CID 268779
cis-Azetidine-2,4-dicarboxylic acid
CID 2733517
N-acetyl-L-glutamate(2-)
CID 1549099
trans-Azetidine-2,4-dicarboxylic acid
CID 6604769
N-Formyl-L-glutamic acid
CID 439376
N-Acetyl-D-glutamic acid
CID 1560015
N-(3-carboxy-1-oxopropyl)-L-glutamic acid
CID 440847

Frequently Asked Questions

What is the IUPAC name of sodium (2S)-5-hydroxy-5-oxo-2-(propylamino)pentanoate?
The IUPAC name of sodium (2S)-5-hydroxy-5-oxo-2-(propylamino)pentanoate (CID 134970196) is sodium (2S)-5-hydroxy-5-oxo-2-(propylamino)pentanoate.
What is the SMILES notation for sodium (2S)-5-hydroxy-5-oxo-2-(propylamino)pentanoate?
The canonical SMILES for sodium (2S)-5-hydroxy-5-oxo-2-(propylamino)pentanoate is CCCN[C@@H](CCC(=O)O)C(=O)[O-].[Na+].
What is the InChIKey of sodium (2S)-5-hydroxy-5-oxo-2-(propylamino)pentanoate?
The InChIKey is CSUGMXGOEYOQJT-RGMNGODLSA-M. The full InChI is InChI=1S/C8H15NO4.Na/c1-2-5-9-6(8(12)13)3-4-7(10)11;/h6,9H,2-5H2,1H3,(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-(propylamino)pentanoate?
sodium (2S)-5-hydroxy-5-oxo-2-(propylamino)pentanoate has a molecular weight of 211.19 g/mol, XLogP of -4.03, 7 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-(propylamino)pentanoate is sourced from PubChem (CID 134970196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).