(2S)-2-amino-N-[(1R)-1-pyridin-2-ylethyl]pentanamide

C12H19N3O — CID 107570243

IUPAC(2S)-2-amino-N-[(1R)-1-pyridin-2-ylethyl]pentanamide
SMILESCCC[C@H](N)C(=O)N[C@H](C)c1ccccn1
InChIInChI=1S/C12H19N3O/c1-3-6-10(13)12(16)15-9(2)11-7-4-5-8-14-11/h4-5,7-10H,3,6,13H2,1-2H3,(H,15,16)/t9-,10+/m1/s1
InChIKeyVIINHIIYSONQLU-ZJUUUORDSA-N
MW221.30 g/mol
LogP1.39
Rot. Bonds5

About (2S)-2-amino-N-[(1R)-1-pyridin-2-ylethyl]pentanamide

(2S)-2-amino-N-[(1R)-1-pyridin-2-ylethyl]pentanamide (PubChem CID 107570243) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1R)-1-pyridin-2-ylethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1R)-1-pyridin-2-ylethyl]pentanamide
PubChem CID107570243
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(2S)-2-amino-N-[(1R)-1-pyridin-2-ylethyl]pentanamide
SMILESCCC[C@H](N)C(=O)N[C@H](C)c1ccccn1
InChIInChI=1S/C12H19N3O/c1-3-6-10(13)12(16)15-9(2)11-7-4-5-8-14-11/h4-5,7-10H,3,6,13H2,1-2H3,(H,15,16)/t9-,10+/m1/s1
InChIKeyVIINHIIYSONQLU-ZJUUUORDSA-N
XLogP1.39
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.39
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-(1-pyridin-2-ylethyl)butanamide
CID 79024975
2-amino-5-methoxy-N-(1-pyridin-2-ylethyl)pentanamide
CID 81081653
(2S)-2-amino-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]pentanamide
CID 81407362
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2-amino-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407191
2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide
CID 103930332
4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride
CID 120564208
(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
3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 81402068
2-chloro-N-(1-pyridin-2-ylethyl)propanamide
CID 43523379

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1R)-1-pyridin-2-ylethyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[(1R)-1-pyridin-2-ylethyl]pentanamide (CID 107570243) is (2S)-2-amino-N-[(1R)-1-pyridin-2-ylethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1R)-1-pyridin-2-ylethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[(1R)-1-pyridin-2-ylethyl]pentanamide is CCC[C@H](N)C(=O)N[C@H](C)c1ccccn1.
What is the InChIKey of (2S)-2-amino-N-[(1R)-1-pyridin-2-ylethyl]pentanamide?
The InChIKey is VIINHIIYSONQLU-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-6-10(13)12(16)15-9(2)11-7-4-5-8-14-11/h4-5,7-10H,3,6,13H2,1-2H3,(H,15,16)/t9-,10+/m1/s1.
What are the key properties of (2S)-2-amino-N-[(1R)-1-pyridin-2-ylethyl]pentanamide?
(2S)-2-amino-N-[(1R)-1-pyridin-2-ylethyl]pentanamide has a molecular weight of 221.30 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1R)-1-pyridin-2-ylethyl]pentanamide is sourced from PubChem (CID 107570243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).