(2S)-2-amino-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]pentanamide

C13H21N3O — CID 81407362

IUPAC(2S)-2-amino-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)N[C@H](C)c1ccccn1
InChIInChI=1S/C13H21N3O/c1-4-9(2)12(14)13(17)16-10(3)11-7-5-6-8-15-11/h5-10,12H,4,14H2,1-3H3,(H,16,17)/t9?,10-,12+/m1/s1
InChIKeyLPOIXLDEHRRQRW-YWTFCRFGSA-N
MW235.33 g/mol
LogP1.63
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]pentanamide

(2S)-2-amino-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]pentanamide (PubChem CID 81407362) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]pentanamide
PubChem CID81407362
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(2S)-2-amino-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)N[C@H](C)c1ccccn1
InChIInChI=1S/C13H21N3O/c1-4-9(2)12(14)13(17)16-10(3)11-7-5-6-8-15-11/h5-10,12H,4,14H2,1-3H3,(H,16,17)/t9?,10-,12+/m1/s1
InChIKeyLPOIXLDEHRRQRW-YWTFCRFGSA-N
XLogP1.63
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

(2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide
CID 79024975
2-amino-N-(1-pyridin-2-ylethyl)pentanamide
CID 43650304
(2S)-2-amino-N-[(1R)-1-pyridin-2-ylethyl]pentanamide
CID 107570243
3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 81402068
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
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
(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
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
CID 11565272

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]pentanamide (CID 81407362) is (2S)-2-amino-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]pentanamide is CCC(C)[C@H](N)C(=O)N[C@H](C)c1ccccn1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]pentanamide?
The InChIKey is LPOIXLDEHRRQRW-YWTFCRFGSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-9(2)12(14)13(17)16-10(3)11-7-5-6-8-15-11/h5-10,12H,4,14H2,1-3H3,(H,16,17)/t9?,10-,12+/m1/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]pentanamide?
(2S)-2-amino-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]pentanamide has a molecular weight of 235.33 g/mol, XLogP of 1.63, 5 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-[(1R)-1-pyridin-2-ylethyl]pentanamide is sourced from PubChem (CID 81407362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).