(2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide

C11H17N3O — CID 79024975

IUPAC(2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide
SMILESCC[C@H](N)C(=O)NC(C)c1ccccn1
InChIInChI=1S/C11H17N3O/c1-3-9(12)11(15)14-8(2)10-6-4-5-7-13-10/h4-9H,3,12H2,1-2H3,(H,14,15)/t8?,9-/m0/s1
InChIKeySWRJAKBKZRZPAY-GKAPJAKFSA-N
MW207.28 g/mol
LogP1.00
Rot. Bonds4

About (2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide

(2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide (PubChem CID 79024975) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide
PubChem CID79024975
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide
SMILESCC[C@H](N)C(=O)NC(C)c1ccccn1
InChIInChI=1S/C11H17N3O/c1-3-9(12)11(15)14-8(2)10-6-4-5-7-13-10/h4-9H,3,12H2,1-2H3,(H,14,15)/t8?,9-/m0/s1
InChIKeySWRJAKBKZRZPAY-GKAPJAKFSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-pyridin-2-ylethyl)pentanamide
CID 43650304
(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
3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 81402068
2-amino-5-methoxy-N-(1-pyridin-2-ylethyl)pentanamide
CID 81081653
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide
CID 103930332
2-amino-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407191
(2R)-2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide
CID 113353567
(2S)-2-amino-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 93096974
2-chloro-N-(1-pyridin-2-ylethyl)propanamide
CID 43523379
1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea
CID 75415056

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide (CID 79024975) is (2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide is CC[C@H](N)C(=O)NC(C)c1ccccn1.
What is the InChIKey of (2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide?
The InChIKey is SWRJAKBKZRZPAY-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-9(12)11(15)14-8(2)10-6-4-5-7-13-10/h4-9H,3,12H2,1-2H3,(H,14,15)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide?
(2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide has a molecular weight of 207.28 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide is sourced from PubChem (CID 79024975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).