(2S)-2-(tert-butylamino)-4-methylpentanamide

C10H22N2O — CID 122595269

IUPAC(2S)-2-(tert-butylamino)-4-methylpentanamide
SMILESCC(C)C[C@H](NC(C)(C)C)C(N)=O
InChIInChI=1S/C10H22N2O/c1-7(2)6-8(9(11)13)12-10(3,4)5/h7-8,12H,6H2,1-5H3,(H2,11,13)/t8-/m0/s1
InChIKeyNBEARURXFQRNOL-QMMMGPOBSA-N
MW186.30 g/mol
LogP1.27
Rot. Bonds4

About (2S)-2-(tert-butylamino)-4-methylpentanamide

(2S)-2-(tert-butylamino)-4-methylpentanamide (PubChem CID 122595269) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (2S)-2-(tert-butylamino)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-(tert-butylamino)-4-methylpentanamide
PubChem CID122595269
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(2S)-2-(tert-butylamino)-4-methylpentanamide
SMILESCC(C)C[C@H](NC(C)(C)C)C(N)=O
InChIInChI=1S/C10H22N2O/c1-7(2)6-8(9(11)13)12-10(3,4)5/h7-8,12H,6H2,1-5H3,(H2,11,13)/t8-/m0/s1
InChIKeyNBEARURXFQRNOL-QMMMGPOBSA-N
XLogP1.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(tert-butylamino)-4-methylpentanamide 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-(tert-butylamino)-4-methylpentanamide?
The IUPAC name of (2S)-2-(tert-butylamino)-4-methylpentanamide (CID 122595269) is (2S)-2-(tert-butylamino)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-(tert-butylamino)-4-methylpentanamide?
The canonical SMILES for (2S)-2-(tert-butylamino)-4-methylpentanamide is CC(C)C[C@H](NC(C)(C)C)C(N)=O.
What is the InChIKey of (2S)-2-(tert-butylamino)-4-methylpentanamide?
The InChIKey is NBEARURXFQRNOL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H22N2O/c1-7(2)6-8(9(11)13)12-10(3,4)5/h7-8,12H,6H2,1-5H3,(H2,11,13)/t8-/m0/s1.
What are the key properties of (2S)-2-(tert-butylamino)-4-methylpentanamide?
(2S)-2-(tert-butylamino)-4-methylpentanamide has a molecular weight of 186.30 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(tert-butylamino)-4-methylpentanamide is sourced from PubChem (CID 122595269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).