(2R)-2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide

C13H21N3O — CID 113353567

IUPAC(2R)-2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide
SMILESC[C@@H](NC(=O)[C@H](N)C(C)(C)C)c1ccccn1
InChIInChI=1S/C13H21N3O/c1-9(10-7-5-6-8-15-10)16-12(17)11(14)13(2,3)4/h5-9,11H,14H2,1-4H3,(H,16,17)/t9-,11+/m1/s1
InChIKeyAFXQVBPPPCEJCF-KOLCDFICSA-N
MW235.33 g/mol
LogP1.63
Rot. Bonds3

About (2R)-2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide

(2R)-2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide (PubChem CID 113353567) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide
PubChem CID113353567
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide
SMILESC[C@@H](NC(=O)[C@H](N)C(C)(C)C)c1ccccn1
InChIInChI=1S/C13H21N3O/c1-9(10-7-5-6-8-15-10)16-12(17)11(14)13(2,3)4/h5-9,11H,14H2,1-4H3,(H,16,17)/t9-,11+/m1/s1
InChIKeyAFXQVBPPPCEJCF-KOLCDFICSA-N
XLogP1.63
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide
CID 103930332
(2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide
CID 79024975
2-amino-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407191
(2S)-2-amino-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 93096974
2-chloro-N-(1-pyridin-2-ylethyl)propanamide
CID 43523379
2,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 60629083
(2S)-2-amino-N-[(1R)-1-pyridin-2-ylethyl]pentanamide
CID 107570243
(2S)-2-amino-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]pentanamide
CID 81407362
2-amino-N-(1-pyridin-2-ylethyl)pentanamide
CID 43650304
2-bromo-2-methyl-N-(1-pyridin-2-ylethyl)propanamide
CID 114327632
3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 81402068
3-amino-N-(1-pyridin-2-ylethyl)butanamide;dihydrochloride
CID 119830348

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide (CID 113353567) is (2R)-2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide is C[C@@H](NC(=O)[C@H](N)C(C)(C)C)c1ccccn1.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide?
The InChIKey is AFXQVBPPPCEJCF-KOLCDFICSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(10-7-5-6-8-15-10)16-12(17)11(14)13(2,3)4/h5-9,11H,14H2,1-4H3,(H,16,17)/t9-,11+/m1/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide?
(2R)-2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide has a molecular weight of 235.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide is sourced from PubChem (CID 113353567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).