(2R)-2-amino-3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butanamide

C10H22N2O3S — CID 103930040

IUPAC(2R)-2-amino-3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butanamide
SMILESCC(CS(C)(=O)=O)NC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C10H22N2O3S/c1-7(6-16(5,14)15)12-9(13)8(11)10(2,3)4/h7-8H,6,11H2,1-5H3,(H,12,13)/t7?,8-/m0/s1
InChIKeyCGZXRTGOLATSKM-MQWKRIRWSA-N
MW250.36 g/mol
LogP-0.09
Rot. Bonds4

About (2R)-2-amino-3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butanamide

(2R)-2-amino-3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butanamide (PubChem CID 103930040) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butanamide
PubChem CID103930040
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butanamide
SMILESCC(CS(C)(=O)=O)NC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C10H22N2O3S/c1-7(6-16(5,14)15)12-9(13)8(11)10(2,3)4/h7-8H,6,11H2,1-5H3,(H,12,13)/t7?,8-/m0/s1
InChIKeyCGZXRTGOLATSKM-MQWKRIRWSA-N
XLogP-0.09
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
(2S)-2-amino-N-heptan-2-yl-3,3-dimethylbutanamide
CID 61154567
(2S)-2-amino-N-[1-(dimethylamino)propan-2-yl]-3,3-dimethylbutanamide
CID 82945253
5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid
CID 103930433
(2R)-2-amino-N-(1-cyclopropylpropan-2-yl)-3,3-dimethylbutanamide
CID 103929976
(2R)-2-amino-3,3-dimethyl-N-propan-2-ylsulfonylbutanamide
CID 103307829
2-amino-3,3-dimethyl-N-(2-methylpentan-3-yl)butanamide
CID 76904802
methyl (2S)-2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-3-methylbutanoate
CID 113353339
(2S)-2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 79250278
(2R)-2-amino-3,3-dimethyl-N-(3-methylsulfonylpropyl)butanamide
CID 103929425
3-chloro-2,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 64630190

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butanamide (CID 103930040) is (2R)-2-amino-3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butanamide is CC(CS(C)(=O)=O)NC(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butanamide?
The InChIKey is CGZXRTGOLATSKM-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-7(6-16(5,14)15)12-9(13)8(11)10(2,3)4/h7-8H,6,11H2,1-5H3,(H,12,13)/t7?,8-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butanamide?
(2R)-2-amino-3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butanamide has a molecular weight of 250.36 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-(1-methylsulfonylpropan-2-yl)butanamide is sourced from PubChem (CID 103930040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).