(2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide

C12H22N4O — CID 103929109

IUPAC(2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
SMILESCN(Cc1cnn(C)c1)C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C12H22N4O/c1-12(2,3)10(13)11(17)15(4)7-9-6-14-16(5)8-9/h6,8,10H,7,13H2,1-5H3/t10-/m0/s1
InChIKeyCGNCJSWWKJMXQO-JTQLQIEISA-N
MW238.33 g/mol
LogP0.75
Rot. Bonds3

About (2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide

(2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide (PubChem CID 103929109) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is (2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
PubChem CID103929109
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name(2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
SMILESCN(Cc1cnn(C)c1)C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C12H22N4O/c1-12(2,3)10(13)11(17)15(4)7-9-6-14-16(5)8-9/h6,8,10H,7,13H2,1-5H3/t10-/m0/s1
InChIKeyCGNCJSWWKJMXQO-JTQLQIEISA-N
XLogP0.75
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride
CID 119834029
2-amino-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 61265030
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
(2S)-2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]hexanamide
CID 93368050
3-amino-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 106111942
2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119834031
3-amino-N,2,2-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide;dihydrochloride
CID 119834041
2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-oxopropanoic acid
CID 82820708
3,3-dimethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]butanoic acid
CID 61439818
4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol
CID 62625333
(2S)-2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 61148158
2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 76891956

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide?
The IUPAC name of (2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide (CID 103929109) is (2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide.
What is the SMILES notation for (2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide?
The canonical SMILES for (2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide is CN(Cc1cnn(C)c1)C(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide?
The InChIKey is CGNCJSWWKJMXQO-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N4O/c1-12(2,3)10(13)11(17)15(4)7-9-6-14-16(5)8-9/h6,8,10H,7,13H2,1-5H3/t10-/m0/s1.
What are the key properties of (2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide?
(2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide has a molecular weight of 238.33 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide is sourced from PubChem (CID 103929109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).