(2S,3S)-2-amino-3-methyl-1-(2H-pyridin-1-yl)pentan-1-one

C11H18N2O — CID 54469930

IUPAC(2S,3S)-2-amino-3-methyl-1-(2H-pyridin-1-yl)pentan-1-one
SMILESCC[C@H](C)[C@H](N)C(=O)N1C=CC=CC1
InChIInChI=1S/C11H18N2O/c1-3-9(2)10(12)11(14)13-7-5-4-6-8-13/h4-7,9-10H,3,8,12H2,1-2H3/t9-,10-/m0/s1
InChIKeyFNBCFINFTMTZRV-UWVGGRQHSA-N
MW194.28 g/mol
LogP1.27
Rot. Bonds3

About (2S,3S)-2-amino-3-methyl-1-(2H-pyridin-1-yl)pentan-1-one

(2S,3S)-2-amino-3-methyl-1-(2H-pyridin-1-yl)pentan-1-one (PubChem CID 54469930) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-1-(2H-pyridin-1-yl)pentan-1-one.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-1-(2H-pyridin-1-yl)pentan-1-one
PubChem CID54469930
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(2S,3S)-2-amino-3-methyl-1-(2H-pyridin-1-yl)pentan-1-one
SMILESCC[C@H](C)[C@H](N)C(=O)N1C=CC=CC1
InChIInChI=1S/C11H18N2O/c1-3-9(2)10(12)11(14)13-7-5-4-6-8-13/h4-7,9-10H,3,8,12H2,1-2H3/t9-,10-/m0/s1
InChIKeyFNBCFINFTMTZRV-UWVGGRQHSA-N
XLogP1.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-amino-3-methyl-1-(2H-pyrrol-1(5H)-yl)pentan-1-one
CID 10845163
(2S,3S)-2-amino-1-(5,6-dihydropyridin-1(2H)-yl)-3-methylpentan-1-one
CID 10774283
2-Amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methyl-pentan-1-one
CID 44364213
2-Amino-1-(2,5-dihydro-pyrrol-1-yl)-3-methyl-pentan-1-one
CID 44364338
4-methyl-N-[2-(2-oxo-1-pyridinyl)ethyl]pentanamide
CID 122136076
1-[(2S,3S)-2-amino-3-methylpentanoyl]-2H-pyridine-6-carbonitrile
CID 53995337
(2S,3S)-2-amino-1-[6-(aminomethyl)-2H-pyridin-1-yl]-3-methylpentan-1-one
CID 54026613
(2S)-2-amino-1-[4-(aminomethyl)-2H-pyridin-1-yl]-3-methylbutan-1-one
CID 57107748
1-[(2S)-2-amino-3-methylpentanoyl]-2H-pyridine-2-carbonitrile
CID 69688976
1-[(2S)-2-amino-3-methylbutyl]pyridin-2-one
CID 70316156
2-amino-3-methyl-1-(2H-pyridin-1-yl)pentan-1-one
CID 76129191
N-(cyanomethyl)-4-methyl-2-(2H-pyridin-1-yl)pentanamide
CID 139933685

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-1-(2H-pyridin-1-yl)pentan-1-one?
The IUPAC name of (2S,3S)-2-amino-3-methyl-1-(2H-pyridin-1-yl)pentan-1-one (CID 54469930) is (2S,3S)-2-amino-3-methyl-1-(2H-pyridin-1-yl)pentan-1-one.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-1-(2H-pyridin-1-yl)pentan-1-one?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-1-(2H-pyridin-1-yl)pentan-1-one is CC[C@H](C)[C@H](N)C(=O)N1C=CC=CC1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-1-(2H-pyridin-1-yl)pentan-1-one?
The InChIKey is FNBCFINFTMTZRV-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-9(2)10(12)11(14)13-7-5-4-6-8-13/h4-7,9-10H,3,8,12H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-1-(2H-pyridin-1-yl)pentan-1-one?
(2S,3S)-2-amino-3-methyl-1-(2H-pyridin-1-yl)pentan-1-one has a molecular weight of 194.28 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-1-(2H-pyridin-1-yl)pentan-1-one is sourced from PubChem (CID 54469930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).