(2S)-2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3,3-dimethylbutanamide

C13H28N2O2 — CID 114150116

IUPAC(2S)-2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3,3-dimethylbutanamide
SMILESCC(C)(CCCO)CNC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-12(2,3)10(14)11(17)15-9-13(4,5)7-6-8-16/h10,16H,6-9,14H2,1-5H3,(H,15,17)/t10-/m1/s1
InChIKeyXRJJUKJRTDOTOK-SNVBAGLBSA-N
MW244.38 g/mol
LogP1.27
Rot. Bonds6

About (2S)-2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3,3-dimethylbutanamide

(2S)-2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3,3-dimethylbutanamide (PubChem CID 114150116) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3,3-dimethylbutanamide
PubChem CID114150116
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name(2S)-2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3,3-dimethylbutanamide
SMILESCC(C)(CCCO)CNC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C13H28N2O2/c1-12(2,3)10(14)11(17)15-9-13(4,5)7-6-8-16/h10,16H,6-9,14H2,1-5H3,(H,15,17)/t10-/m1/s1
InChIKeyXRJJUKJRTDOTOK-SNVBAGLBSA-N
XLogP1.27
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-hydroxy-2,2-dimethylpropyl)-3,3-dimethylbutanamide
CID 115360318
N-(5-hydroxy-2,2-dimethylpentyl)-3-methyl-2-sulfanylbutanamide
CID 106149644
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148250
N-(5-hydroxy-2,2-dimethylpentyl)-2-methoxypropanamide
CID 103899872
(2S)-2-amino-N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 106148305
2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-5-methoxypentanamide
CID 106148113
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbutanamide
CID 106147902
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide
CID 106148146
2-amino-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 106148100
(2R)-2-amino-N-(2,3-dihydroxy-2-methylpropyl)-3,3-dimethylbutanamide
CID 103930127
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148312
(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 103808439

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3,3-dimethylbutanamide (CID 114150116) is (2S)-2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3,3-dimethylbutanamide is CC(C)(CCCO)CNC(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3,3-dimethylbutanamide?
The InChIKey is XRJJUKJRTDOTOK-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-12(2,3)10(14)11(17)15-9-13(4,5)7-6-8-16/h10,16H,6-9,14H2,1-5H3,(H,15,17)/t10-/m1/s1.
What are the key properties of (2S)-2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3,3-dimethylbutanamide?
(2S)-2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3,3-dimethylbutanamide has a molecular weight of 244.38 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 114150116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).