(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide

C11H20N4O — CID 63302481

IUPAC(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
SMILESCn1nccc1CNC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C11H20N4O/c1-11(2,3)9(12)10(16)13-7-8-5-6-14-15(8)4/h5-6,9H,7,12H2,1-4H3,(H,13,16)/t9-/m1/s1
InChIKeyPEWDJBVHSRAMLQ-SECBINFHSA-N
MW224.31 g/mol
LogP0.41
Rot. Bonds3

About (2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide (PubChem CID 63302481) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
PubChem CID63302481
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
SMILESCn1nccc1CNC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C11H20N4O/c1-11(2,3)9(12)10(16)13-7-8-5-6-14-15(8)4/h5-6,9H,7,12H2,1-4H3,(H,13,16)/t9-/m1/s1
InChIKeyPEWDJBVHSRAMLQ-SECBINFHSA-N
XLogP0.41
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide;hydrochloride
CID 119727683
3-amino-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 64678263
2-amino-4-methoxy-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 63302394
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
2-amino-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 119291636
2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63302579
3-amino-3-hydroxyimino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 76989094
3-amino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 119727678
1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 131154196
(2S)-2-amino-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61148496
2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 63303675
5-amino-N-[(2-methylpyrazol-3-yl)methyl]hexanamide
CID 82852042

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide (CID 63302481) is (2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide is Cn1nccc1CNC(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide?
The InChIKey is PEWDJBVHSRAMLQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(2,3)9(12)10(16)13-7-8-5-6-14-15(8)4/h5-6,9H,7,12H2,1-4H3,(H,13,16)/t9-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide has a molecular weight of 224.31 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide is sourced from PubChem (CID 63302481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).