(2S)-2-(deuteriooxyamino)-4-methylpentanoic acid

C6H13NO3 — CID 175756244

IUPAC(2S)-2-(deuteriooxyamino)-4-methylpentanoic acid
SMILES[2H]ON[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C6H13NO3/c1-4(2)3-5(7-10)6(8)9/h4-5,7,10H,3H2,1-2H3,(H,8,9)/t5-/m0/s1/i10D
InChIKeyHJEXNFCNNXWHLC-ASBCWWNGSA-N
MW148.18 g/mol
LogP0.46
Rot. Bonds5

About (2S)-2-(deuteriooxyamino)-4-methylpentanoic acid

(2S)-2-(deuteriooxyamino)-4-methylpentanoic acid (PubChem CID 175756244) has the molecular formula C6H13NO3 and a molecular weight of 148.18 g/mol. Its IUPAC name is (2S)-2-(deuteriooxyamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-(deuteriooxyamino)-4-methylpentanoic acid
PubChem CID175756244
Molecular FormulaC6H13NO3
Molecular Weight148.18 g/mol
Exact Mass148.10
IUPAC Name(2S)-2-(deuteriooxyamino)-4-methylpentanoic acid
SMILES[2H]ON[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C6H13NO3/c1-4(2)3-5(7-10)6(8)9/h4-5,7,10H,3H2,1-2H3,(H,8,9)/t5-/m0/s1/i10D
InChIKeyHJEXNFCNNXWHLC-ASBCWWNGSA-N
XLogP0.46
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397
(2S)-2-(deuteriomethylamino)-4-methylpentanoic acid;hydrochloride
CID 156767748
(2R)-2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 6992390
2-[[(2R)-2-aminopropanoyl]amino]-4-methylpentanoic acid
CID 78973229
(2R)-4-methyl-2-(methylcarbamoylamino)pentanoic acid
CID 30070504
(2S)-4-methyl-2-(methylsulfanylamino)pentanoic acid
CID 142463410
(2S)-2-(carboxymethylamino)-4-methylpentanoic acid
CID 15691184
4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid
CID 61181963
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoic acid;hydrate
CID 90482817
4-methyl-2-(2-methylbutylamino)pentanoic acid
CID 23297604
(2S)-2-(3-aminobutanoylamino)-4-methylpentanoic acid
CID 56645624
(2S)-2-(2,4-dimethylpentylamino)-4-methylpentanoic acid
CID 122037109

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(deuteriooxyamino)-4-methylpentanoic acid?
The IUPAC name of (2S)-2-(deuteriooxyamino)-4-methylpentanoic acid (CID 175756244) is (2S)-2-(deuteriooxyamino)-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-(deuteriooxyamino)-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-(deuteriooxyamino)-4-methylpentanoic acid is [2H]ON[C@@H](CC(C)C)C(=O)O.
What is the InChIKey of (2S)-2-(deuteriooxyamino)-4-methylpentanoic acid?
The InChIKey is HJEXNFCNNXWHLC-ASBCWWNGSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4(2)3-5(7-10)6(8)9/h4-5,7,10H,3H2,1-2H3,(H,8,9)/t5-/m0/s1/i10D.
What are the key properties of (2S)-2-(deuteriooxyamino)-4-methylpentanoic acid?
(2S)-2-(deuteriooxyamino)-4-methylpentanoic acid has a molecular weight of 148.18 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(deuteriooxyamino)-4-methylpentanoic acid is sourced from PubChem (CID 175756244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).