sodium;2-[[(2S)-2-(2,2-dimethylhydrazinyl)-4-methylpentanoyl]amino]acetic acid;hydroxide

C10H22N3NaO4 — CID 172768548

IUPACsodium;2-[[(2S)-2-(2,2-dimethylhydrazinyl)-4-methylpentanoyl]amino]acetic acid;hydroxide
SMILESCC(C)C[C@H](NN(C)C)C(=O)NCC(=O)O.[Na+].[OH-]
InChIInChI=1S/C10H21N3O3.Na.H2O/c1-7(2)5-8(12-13(3)4)10(16)11-6-9(14)15;;/h7-8,12H,5-6H2,1-4H3,(H,11,16)(H,14,15);;1H2/q;+1;/p-1/t8-;;/m0../s1
InChIKeyMQJNEDCOEBQEQH-JZGIKJSDSA-M
MW271.29 g/mol
LogP-3.50
Rot. Bonds7

About sodium;2-[[(2S)-2-(2,2-dimethylhydrazinyl)-4-methylpentanoyl]amino]acetic acid;hydroxide

sodium;2-[[(2S)-2-(2,2-dimethylhydrazinyl)-4-methylpentanoyl]amino]acetic acid;hydroxide (PubChem CID 172768548) has the molecular formula C10H22N3NaO4 and a molecular weight of 271.29 g/mol. Its IUPAC name is sodium;2-[[(2S)-2-(2,2-dimethylhydrazinyl)-4-methylpentanoyl]amino]acetic acid;hydroxide.

Molecular Properties

Compound Namesodium;2-[[(2S)-2-(2,2-dimethylhydrazinyl)-4-methylpentanoyl]amino]acetic acid;hydroxide
PubChem CID172768548
Molecular FormulaC10H22N3NaO4
Molecular Weight271.29 g/mol
Exact Mass271.15
IUPAC Namesodium;2-[[(2S)-2-(2,2-dimethylhydrazinyl)-4-methylpentanoyl]amino]acetic acid;hydroxide
SMILESCC(C)C[C@H](NN(C)C)C(=O)NCC(=O)O.[Na+].[OH-]
InChIInChI=1S/C10H21N3O3.Na.H2O/c1-7(2)5-8(12-13(3)4)10(16)11-6-9(14)15;;/h7-8,12H,5-6H2,1-4H3,(H,11,16)(H,14,15);;1H2/q;+1;/p-1/t8-;;/m0../s1
InChIKeyMQJNEDCOEBQEQH-JZGIKJSDSA-M
XLogP-3.50
TPSA111.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 5-3.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[(2S)-2,4-dimethylpentanoyl]amino]acetic acid
CID 134236014
2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetic acid
CID 7009642
2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]acetic acid
CID 145457797
2-[[2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid
CID 11394267
2-[[2-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-4-methylpentanoyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 22336890
2-[[(2S)-4-methyl-2-(undecanoylamino)pentanoyl]amino]acetic acid
CID 101117017
2-[[(2S)-2-(6-aminohexanoylamino)-4-methylpentanoyl]amino]acetic acid
CID 89183168
2-[[4-amino-2-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]acetic acid
CID 18236598
2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetic acid
CID 22655078
2-[[(2S)-2-(benzoylcarbamoylamino)-4-methylpentanoyl]amino]acetic acid
CID 71417227
2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2,4-diaminobutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]butanoyl]amino]acetic acid
CID 175763022
4-amino-5-[[1-[[1-[[3-carboxy-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
CID 19602387

Frequently Asked Questions

What is the IUPAC name of sodium;2-[[(2S)-2-(2,2-dimethylhydrazinyl)-4-methylpentanoyl]amino]acetic acid;hydroxide?
The IUPAC name of sodium;2-[[(2S)-2-(2,2-dimethylhydrazinyl)-4-methylpentanoyl]amino]acetic acid;hydroxide (CID 172768548) is sodium;2-[[(2S)-2-(2,2-dimethylhydrazinyl)-4-methylpentanoyl]amino]acetic acid;hydroxide.
What is the SMILES notation for sodium;2-[[(2S)-2-(2,2-dimethylhydrazinyl)-4-methylpentanoyl]amino]acetic acid;hydroxide?
The canonical SMILES for sodium;2-[[(2S)-2-(2,2-dimethylhydrazinyl)-4-methylpentanoyl]amino]acetic acid;hydroxide is CC(C)C[C@H](NN(C)C)C(=O)NCC(=O)O.[Na+].[OH-].
What is the InChIKey of sodium;2-[[(2S)-2-(2,2-dimethylhydrazinyl)-4-methylpentanoyl]amino]acetic acid;hydroxide?
The InChIKey is MQJNEDCOEBQEQH-JZGIKJSDSA-M. The full InChI is InChI=1S/C10H21N3O3.Na.H2O/c1-7(2)5-8(12-13(3)4)10(16)11-6-9(14)15;;/h7-8,12H,5-6H2,1-4H3,(H,11,16)(H,14,15);;1H2/q;+1;/p-1/t8-;;/m0../s1.
What are the key properties of sodium;2-[[(2S)-2-(2,2-dimethylhydrazinyl)-4-methylpentanoyl]amino]acetic acid;hydroxide?
sodium;2-[[(2S)-2-(2,2-dimethylhydrazinyl)-4-methylpentanoyl]amino]acetic acid;hydroxide has a molecular weight of 271.29 g/mol, XLogP of -3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[[(2S)-2-(2,2-dimethylhydrazinyl)-4-methylpentanoyl]amino]acetic acid;hydroxide is sourced from PubChem (CID 172768548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).