sodium (2S)-4-methyl-2-nitrosopentanoate

C6H10NNaO3 — CID 141230508

IUPACsodium (2S)-4-methyl-2-nitrosopentanoate
SMILESCC(C)C[C@H](N=O)C(=O)[O-].[Na+]
InChIInChI=1S/C6H11NO3.Na/c1-4(2)3-5(7-10)6(8)9;/h4-5H,3H2,1-2H3,(H,8,9);/q;+1/p-1/t5-;/m0./s1
InChIKeyPJGSBGBQEDSKFW-JEDNCBNOSA-M
MW167.14 g/mol
LogP-3.08
Rot. Bonds4

About sodium (2S)-4-methyl-2-nitrosopentanoate

sodium (2S)-4-methyl-2-nitrosopentanoate (PubChem CID 141230508) has the molecular formula C6H10NNaO3 and a molecular weight of 167.14 g/mol. Its IUPAC name is sodium (2S)-4-methyl-2-nitrosopentanoate.

Molecular Properties

Compound Namesodium (2S)-4-methyl-2-nitrosopentanoate
PubChem CID141230508
Molecular FormulaC6H10NNaO3
Molecular Weight167.14 g/mol
Exact Mass167.06
IUPAC Namesodium (2S)-4-methyl-2-nitrosopentanoate
SMILESCC(C)C[C@H](N=O)C(=O)[O-].[Na+]
InChIInChI=1S/C6H11NO3.Na/c1-4(2)3-5(7-10)6(8)9;/h4-5H,3H2,1-2H3,(H,8,9);/q;+1/p-1/t5-;/m0./s1
InChIKeyPJGSBGBQEDSKFW-JEDNCBNOSA-M
XLogP-3.08
TPSA69.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 5-3.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

sodium (2S)-2-hydroxy-4-methylpentanoate
CID 23663428
calcium bis((2S)-2-hydroxy-4-methylpentanoate)
CID 91659042
2-amino-4-methylpentanoate
CID 157437742
(2S)-2-amino-4-methylpentanoate;iron(3+)
CID 172736256
sodium (2S,3R)-3-hydroxy-2-nitrosobutanoate
CID 141437494
2-[(1-carboxylato-3-cyanobutyl)diazenyl]-4-cyanopentanoate
CID 19816669
potassium;chloroplatinum(1+);(2S)-4-methyl-2-[(2-oxidophenyl)methylideneamino]pentanoate
CID 57341344
(2S)-3-methyl-2-nitrosobutanoic acid;(2S,3S)-3-methyl-2-nitrosopentanoic acid;(2S)-4-methyl-2-nitrosopentanoic acid
CID 158459469
sodium;pentakis(2-hydroxypropanoate);thorium(4+)
CID 159864305
lithium;sodium;2-methylpropanoate;propanoate
CID 22366595
calcium;bis((2S,3S)-3-methyl-2-nitrosopentanoate);dihydrate
CID 141294411
2-(2,6-dimethylheptan-4-ylamino)propanoic acid
CID 61499456

Frequently Asked Questions

What is the IUPAC name of sodium (2S)-4-methyl-2-nitrosopentanoate?
The IUPAC name of sodium (2S)-4-methyl-2-nitrosopentanoate (CID 141230508) is sodium (2S)-4-methyl-2-nitrosopentanoate.
What is the SMILES notation for sodium (2S)-4-methyl-2-nitrosopentanoate?
The canonical SMILES for sodium (2S)-4-methyl-2-nitrosopentanoate is CC(C)C[C@H](N=O)C(=O)[O-].[Na+].
What is the InChIKey of sodium (2S)-4-methyl-2-nitrosopentanoate?
The InChIKey is PJGSBGBQEDSKFW-JEDNCBNOSA-M. The full InChI is InChI=1S/C6H11NO3.Na/c1-4(2)3-5(7-10)6(8)9;/h4-5H,3H2,1-2H3,(H,8,9);/q;+1/p-1/t5-;/m0./s1.
What are the key properties of sodium (2S)-4-methyl-2-nitrosopentanoate?
sodium (2S)-4-methyl-2-nitrosopentanoate has a molecular weight of 167.14 g/mol, XLogP of -3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2S)-4-methyl-2-nitrosopentanoate is sourced from PubChem (CID 141230508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).