(2S)-2-amino-N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]-N,2,3-trimethylbutanamide

C14H30N2O2 — CID 89418996

IUPAC(2S)-2-amino-N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]-N,2,3-trimethylbutanamide
SMILESCC(C)C[C@@](C)(CO)N(C)C(=O)[C@@](C)(N)C(C)C
InChIInChI=1S/C14H30N2O2/c1-10(2)8-13(5,9-17)16(7)12(18)14(6,15)11(3)4/h10-11,17H,8-9,15H2,1-7H3/t13-,14-/m0/s1
InChIKeyPXWHTQDKFFDYNH-KBPBESRZSA-N
MW258.41 g/mol
LogP1.62
Rot. Bonds6

About (2S)-2-amino-N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]-N,2,3-trimethylbutanamide

(2S)-2-amino-N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]-N,2,3-trimethylbutanamide (PubChem CID 89418996) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]-N,2,3-trimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]-N,2,3-trimethylbutanamide
PubChem CID89418996
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name(2S)-2-amino-N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]-N,2,3-trimethylbutanamide
SMILESCC(C)C[C@@](C)(CO)N(C)C(=O)[C@@](C)(N)C(C)C
InChIInChI=1S/C14H30N2O2/c1-10(2)8-13(5,9-17)16(7)12(18)14(6,15)11(3)4/h10-11,17H,8-9,15H2,1-7H3/t13-,14-/m0/s1
InChIKeyPXWHTQDKFFDYNH-KBPBESRZSA-N
XLogP1.62
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]-N,2,3-trimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]-N,2,3-trimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]-N,2,3-trimethylbutanamide (CID 89418996) is (2S)-2-amino-N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]-N,2,3-trimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]-N,2,3-trimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]-N,2,3-trimethylbutanamide is CC(C)C[C@@](C)(CO)N(C)C(=O)[C@@](C)(N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]-N,2,3-trimethylbutanamide?
The InChIKey is PXWHTQDKFFDYNH-KBPBESRZSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-10(2)8-13(5,9-17)16(7)12(18)14(6,15)11(3)4/h10-11,17H,8-9,15H2,1-7H3/t13-,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]-N,2,3-trimethylbutanamide?
(2S)-2-amino-N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]-N,2,3-trimethylbutanamide has a molecular weight of 258.41 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]-N,2,3-trimethylbutanamide is sourced from PubChem (CID 89418996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).