(2S)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3,3-dimethylbutanamide

C11H25N3O — CID 82945253

IUPAC(2S)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3,3-dimethylbutanamide
SMILESCC(CN(C)C)NC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C11H25N3O/c1-8(7-14(5)6)13-10(15)9(12)11(2,3)4/h8-9H,7,12H2,1-6H3,(H,13,15)/t8?,9-/m1/s1
InChIKeyULZSWLDKEXRAFD-YGPZHTELSA-N
MW215.34 g/mol
LogP0.43
Rot. Bonds4

About (2S)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3,3-dimethylbutanamide

(2S)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3,3-dimethylbutanamide (PubChem CID 82945253) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3,3-dimethylbutanamide
PubChem CID82945253
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name(2S)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3,3-dimethylbutanamide
SMILESCC(CN(C)C)NC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C11H25N3O/c1-8(7-14(5)6)13-10(15)9(12)11(2,3)4/h8-9H,7,12H2,1-6H3,(H,13,15)/t8?,9-/m1/s1
InChIKeyULZSWLDKEXRAFD-YGPZHTELSA-N
XLogP0.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]butanoic acid
CID 61161578
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentan-2-yl)butanamide
CID 103928461
N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide
CID 22973200
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]butanamide
CID 82945905
(2S)-2-amino-N-heptan-2-yl-3,3-dimethylbutanamide
CID 61154567
(2R)-2-amino-3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butanamide
CID 103930040
N-[1-(dimethylamino)propan-2-yl]-2,2-difluoroacetamide
CID 103515956
(2R)-2-amino-N-(1-cyclopropylpropan-2-yl)-3,3-dimethylbutanamide
CID 103929976
5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid
CID 103930433
2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide
CID 76904802
(2S)-2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 79250278
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methylsulfanylbutanamide
CID 104908942

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3,3-dimethylbutanamide (CID 82945253) is (2S)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3,3-dimethylbutanamide is CC(CN(C)C)NC(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3,3-dimethylbutanamide?
The InChIKey is ULZSWLDKEXRAFD-YGPZHTELSA-N. The full InChI is InChI=1S/C11H25N3O/c1-8(7-14(5)6)13-10(15)9(12)11(2,3)4/h8-9H,7,12H2,1-6H3,(H,13,15)/t8?,9-/m1/s1.
What are the key properties of (2S)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3,3-dimethylbutanamide?
(2S)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3,3-dimethylbutanamide has a molecular weight of 215.34 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 82945253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).