(2R)-2-amino-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide

C11H22N2O2 — CID 22815046

IUPAC(2R)-2-amino-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
SMILESCC(C)C[C@@H](C=O)NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C11H22N2O2/c1-7(2)5-9(6-14)13-11(15)10(12)8(3)4/h6-10H,5,12H2,1-4H3,(H,13,15)/t9-,10+/m0/s1
InChIKeyNWPSIQXSVZAWHR-VHSXEESVSA-N
MW214.31 g/mol
LogP0.70
Rot. Bonds6

About (2R)-2-amino-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide

(2R)-2-amino-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide (PubChem CID 22815046) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
PubChem CID22815046
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2R)-2-amino-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
SMILESCC(C)C[C@@H](C=O)NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C11H22N2O2/c1-7(2)5-9(6-14)13-11(15)10(12)8(3)4/h6-10H,5,12H2,1-4H3,(H,13,15)/t9-,10+/m0/s1
InChIKeyNWPSIQXSVZAWHR-VHSXEESVSA-N
XLogP0.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide (CID 22815046) is (2R)-2-amino-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide is CC(C)C[C@@H](C=O)NC(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide?
The InChIKey is NWPSIQXSVZAWHR-VHSXEESVSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-7(2)5-9(6-14)13-11(15)10(12)8(3)4/h6-10H,5,12H2,1-4H3,(H,13,15)/t9-,10+/m0/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide?
(2R)-2-amino-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide is sourced from PubChem (CID 22815046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).