(2R)-2-[(hydroxyamino)methyl]-4-methylpentanamide

C7H16N2O2 — CID 138646776

IUPAC(2R)-2-[(hydroxyamino)methyl]-4-methylpentanamide
SMILESCC(C)C[C@H](CNO)C(N)=O
InChIInChI=1S/C7H16N2O2/c1-5(2)3-6(4-9-11)7(8)10/h5-6,9,11H,3-4H2,1-2H3,(H2,8,10)/t6-/m1/s1
InChIKeyJUVSGBVPRBWAHN-ZCFIWIBFSA-N
MW160.22 g/mol
LogP0.11
Rot. Bonds5

About (2R)-2-[(hydroxyamino)methyl]-4-methylpentanamide

(2R)-2-[(hydroxyamino)methyl]-4-methylpentanamide (PubChem CID 138646776) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (2R)-2-[(hydroxyamino)methyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(hydroxyamino)methyl]-4-methylpentanamide
PubChem CID138646776
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name(2R)-2-[(hydroxyamino)methyl]-4-methylpentanamide
SMILESCC(C)C[C@H](CNO)C(N)=O
InChIInChI=1S/C7H16N2O2/c1-5(2)3-6(4-9-11)7(8)10/h5-6,9,11H,3-4H2,1-2H3,(H2,8,10)/t6-/m1/s1
InChIKeyJUVSGBVPRBWAHN-ZCFIWIBFSA-N
XLogP0.11
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.11
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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(hydroxyamino)methyl]-4-methylpentanamide?
The IUPAC name of (2R)-2-[(hydroxyamino)methyl]-4-methylpentanamide (CID 138646776) is (2R)-2-[(hydroxyamino)methyl]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[(hydroxyamino)methyl]-4-methylpentanamide?
The canonical SMILES for (2R)-2-[(hydroxyamino)methyl]-4-methylpentanamide is CC(C)C[C@H](CNO)C(N)=O.
What is the InChIKey of (2R)-2-[(hydroxyamino)methyl]-4-methylpentanamide?
The InChIKey is JUVSGBVPRBWAHN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-5(2)3-6(4-9-11)7(8)10/h5-6,9,11H,3-4H2,1-2H3,(H2,8,10)/t6-/m1/s1.
What are the key properties of (2R)-2-[(hydroxyamino)methyl]-4-methylpentanamide?
(2R)-2-[(hydroxyamino)methyl]-4-methylpentanamide has a molecular weight of 160.22 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(hydroxyamino)methyl]-4-methylpentanamide is sourced from PubChem (CID 138646776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).