(2S,3S)-2-(2-acetylhydrazinyl)-3-methylpentanoic acid

C8H16N2O3 — CID 151986208

IUPAC(2S,3S)-2-(2-acetylhydrazinyl)-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NNC(C)=O)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-4-5(2)7(8(12)13)10-9-6(3)11/h5,7,10H,4H2,1-3H3,(H,9,11)(H,12,13)/t5-,7-/m0/s1
InChIKeyUDRYSHKNKYLUHS-FSPLSTOPSA-N
MW188.23 g/mol
LogP0.13
Rot. Bonds5

About (2S,3S)-2-(2-acetylhydrazinyl)-3-methylpentanoic acid

(2S,3S)-2-(2-acetylhydrazinyl)-3-methylpentanoic acid (PubChem CID 151986208) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is (2S,3S)-2-(2-acetylhydrazinyl)-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-(2-acetylhydrazinyl)-3-methylpentanoic acid
PubChem CID151986208
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name(2S,3S)-2-(2-acetylhydrazinyl)-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NNC(C)=O)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-4-5(2)7(8(12)13)10-9-6(3)11/h5,7,10H,4H2,1-3H3,(H,9,11)(H,12,13)/t5-,7-/m0/s1
InChIKeyUDRYSHKNKYLUHS-FSPLSTOPSA-N
XLogP0.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.13
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

2-(2-acetamidopropanoylamino)-3-methylpentanoic acid
CID 19431410
(2R,3S)-3-methyl-2-(methylamino)pentanoic acid;hydrochloride
CID 122173693
2-(carboxyamino)-3-methylpentanoic acid
CID 19101858
(2S,3S)-3-methyl-2-(propylamino)pentanoic acid
CID 140981705
2-(1-carboxyethylamino)-3-methylpentanoic acid
CID 155253575
(2S,3S)-2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 61137926
2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 43171197
(2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid
CID 30050139
(2S)-2-(2-ethylbutanoylamino)-3-methylpentanoic acid
CID 61173595
(2S,3S)-2-(2-aminoethylamino)-3-methylpentanoic acid
CID 71365518
3-methyl-2-[(2,2,2-trichloroacetyl)amino]pentanoic acid
CID 21402667
(2S,3S)-2-[2-[(1S)-4-amino-1-carboxy-4-oxobutyl]hydrazinyl]-3-methylpentanoic acid
CID 175938398

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(2-acetylhydrazinyl)-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-(2-acetylhydrazinyl)-3-methylpentanoic acid (CID 151986208) is (2S,3S)-2-(2-acetylhydrazinyl)-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-(2-acetylhydrazinyl)-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-(2-acetylhydrazinyl)-3-methylpentanoic acid is CC[C@H](C)[C@H](NNC(C)=O)C(=O)O.
What is the InChIKey of (2S,3S)-2-(2-acetylhydrazinyl)-3-methylpentanoic acid?
The InChIKey is UDRYSHKNKYLUHS-FSPLSTOPSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-4-5(2)7(8(12)13)10-9-6(3)11/h5,7,10H,4H2,1-3H3,(H,9,11)(H,12,13)/t5-,7-/m0/s1.
What are the key properties of (2S,3S)-2-(2-acetylhydrazinyl)-3-methylpentanoic acid?
(2S,3S)-2-(2-acetylhydrazinyl)-3-methylpentanoic acid has a molecular weight of 188.23 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(2-acetylhydrazinyl)-3-methylpentanoic acid is sourced from PubChem (CID 151986208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).