(2S)-2-amino-3,3-dimethyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]butanamide

C13H25N5O — CID 119891087

IUPAC(2S)-2-amino-3,3-dimethyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]butanamide
SMILESCC(C)c1nncn1CCNC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C13H25N5O/c1-9(2)11-17-16-8-18(11)7-6-15-12(19)10(14)13(3,4)5/h8-10H,6-7,14H2,1-5H3,(H,15,19)/t10-/m1/s1
InChIKeyGJWPSYOTHPRZSR-SNVBAGLBSA-N
MW267.38 g/mol
LogP0.89
Rot. Bonds5

About (2S)-2-amino-3,3-dimethyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]butanamide (PubChem CID 119891087) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]butanamide
PubChem CID119891087
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]butanamide
SMILESCC(C)c1nncn1CCNC(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C13H25N5O/c1-9(2)11-17-16-8-18(11)7-6-15-12(19)10(14)13(3,4)5/h8-10H,6-7,14H2,1-5H3,(H,15,19)/t10-/m1/s1
InChIKeyGJWPSYOTHPRZSR-SNVBAGLBSA-N
XLogP0.89
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-3,3-dimethyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]butanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]butanamide (CID 119891087) is (2S)-2-amino-3,3-dimethyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]butanamide is CC(C)c1nncn1CCNC(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]butanamide?
The InChIKey is GJWPSYOTHPRZSR-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H25N5O/c1-9(2)11-17-16-8-18(11)7-6-15-12(19)10(14)13(3,4)5/h8-10H,6-7,14H2,1-5H3,(H,15,19)/t10-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]butanamide has a molecular weight of 267.38 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]butanamide is sourced from PubChem (CID 119891087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).