(2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide

C12H26N2O — CID 64598491

IUPAC(2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide
SMILESCC(C)C(C)CNC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C12H26N2O/c1-8(2)9(3)7-14-11(15)10(13)12(4,5)6/h8-10H,7,13H2,1-6H3,(H,14,15)/t9?,10-/m1/s1
InChIKeyYHOCNBUUVMPWTG-QVDQXJPCSA-N
MW214.35 g/mol
LogP1.77
Rot. Bonds4

About (2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide

(2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide (PubChem CID 64598491) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide
PubChem CID64598491
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name(2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide
SMILESCC(C)C(C)CNC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C12H26N2O/c1-8(2)9(3)7-14-11(15)10(13)12(4,5)6/h8-10H,7,13H2,1-6H3,(H,14,15)/t9?,10-/m1/s1
InChIKeyYHOCNBUUVMPWTG-QVDQXJPCSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696
(2S)-2-amino-N-(2-hydroxy-3-methylpentyl)-3,3-dimethylbutanamide;hydrochloride
CID 119784033
(2S)-2-amino-N-[3-hydroxy-2-(hydroxymethyl)propyl]-3,3-dimethylbutanamide
CID 58124579
2-amino-N-(2-ethylbutyl)-3,3-dimethylbutanamide
CID 115750981
2-amino-N-(2-hydroxy-4-methylpentyl)-3,3-dimethylbutanamide
CID 103827723
(2S)-2-amino-3,3-dimethyl-N-(2-methylsulfinylpropyl)butanamide
CID 104865583
(2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide
CID 113353389
N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide
CID 76893602
(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 103808439
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide
CID 103929431
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride
CID 119817764
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
CID 103929423

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide (CID 64598491) is (2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide is CC(C)C(C)CNC(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide?
The InChIKey is YHOCNBUUVMPWTG-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H26N2O/c1-8(2)9(3)7-14-11(15)10(13)12(4,5)6/h8-10H,7,13H2,1-6H3,(H,14,15)/t9?,10-/m1/s1.
What are the key properties of (2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide?
(2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide has a molecular weight of 214.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 64598491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).