(2S)-2-(tert-butylcarbamoylamino)-N-hydroxy-3-methylbutanamide

C10H21N3O3 — CID 50913274

IUPAC(2S)-2-(tert-butylcarbamoylamino)-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NO
InChIInChI=1S/C10H21N3O3/c1-6(2)7(8(14)13-16)11-9(15)12-10(3,4)5/h6-7,16H,1-5H3,(H,13,14)(H2,11,12,15)/t7-/m0/s1
InChIKeyGFSLJWUVFGHVNY-ZETCQYMHSA-N
MW231.30 g/mol
LogP0.61
Rot. Bonds3

About (2S)-2-(tert-butylcarbamoylamino)-N-hydroxy-3-methylbutanamide

(2S)-2-(tert-butylcarbamoylamino)-N-hydroxy-3-methylbutanamide (PubChem CID 50913274) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is (2S)-2-(tert-butylcarbamoylamino)-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-(tert-butylcarbamoylamino)-N-hydroxy-3-methylbutanamide
PubChem CID50913274
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name(2S)-2-(tert-butylcarbamoylamino)-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NO
InChIInChI=1S/C10H21N3O3/c1-6(2)7(8(14)13-16)11-9(15)12-10(3,4)5/h6-7,16H,1-5H3,(H,13,14)(H2,11,12,15)/t7-/m0/s1
InChIKeyGFSLJWUVFGHVNY-ZETCQYMHSA-N
XLogP0.61
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(tert-butylcarbamoylamino)-N-hydroxy-3-methylbutanamide?
The IUPAC name of (2S)-2-(tert-butylcarbamoylamino)-N-hydroxy-3-methylbutanamide (CID 50913274) is (2S)-2-(tert-butylcarbamoylamino)-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2S)-2-(tert-butylcarbamoylamino)-N-hydroxy-3-methylbutanamide?
The canonical SMILES for (2S)-2-(tert-butylcarbamoylamino)-N-hydroxy-3-methylbutanamide is CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NO.
What is the InChIKey of (2S)-2-(tert-butylcarbamoylamino)-N-hydroxy-3-methylbutanamide?
The InChIKey is GFSLJWUVFGHVNY-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-6(2)7(8(14)13-16)11-9(15)12-10(3,4)5/h6-7,16H,1-5H3,(H,13,14)(H2,11,12,15)/t7-/m0/s1.
What are the key properties of (2S)-2-(tert-butylcarbamoylamino)-N-hydroxy-3-methylbutanamide?
(2S)-2-(tert-butylcarbamoylamino)-N-hydroxy-3-methylbutanamide has a molecular weight of 231.30 g/mol, XLogP of 0.61, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(tert-butylcarbamoylamino)-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 50913274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).