(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide

C11H17N3O — CID 18655127

IUPAC(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCC(C)[C@H](N)C(=O)NCc1cccnc1
InChIInChI=1S/C11H17N3O/c1-8(2)10(12)11(15)14-7-9-4-3-5-13-6-9/h3-6,8,10H,7,12H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKeyNELYNTMJOYTZDN-JTQLQIEISA-N
MW207.28 g/mol
LogP0.68
Rot. Bonds4

About (2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide

(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 18655127) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
PubChem CID18655127
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCC(C)[C@H](N)C(=O)NCc1cccnc1
InChIInChI=1S/C11H17N3O/c1-8(2)10(12)11(15)14-7-9-4-3-5-13-6-9/h3-6,8,10H,7,12H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKeyNELYNTMJOYTZDN-JTQLQIEISA-N
XLogP0.68
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
2-(2-aminoethyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 112515558
2-amino-3-methyl-N-(pyridin-3-ylmethyl)pentanamide;2,2,2-trifluoroacetic acid
CID 22068505
6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide
CID 65292854
2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
CID 88670625
3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide
CID 110316795
(2S)-2-amino-N-[(6-bromo-3-pyridinyl)methyl]-3-methylbutanamide
CID 66568601
2-amino-N-[(6-chloro-3-pyridinyl)methyl]-3-methylbutanamide
CID 77144550
2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 2898433
(2S)-2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 958330

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide (CID 18655127) is (2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide is CC(C)[C@H](N)C(=O)NCc1cccnc1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is NELYNTMJOYTZDN-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(2)10(12)11(15)14-7-9-4-3-5-13-6-9/h3-6,8,10H,7,12H2,1-2H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 207.28 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 18655127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).