(2S)-2-amino-1-[4-(aminomethyl)-2H-pyridin-1-yl]-3-methylbutan-1-one

C11H19N3O — CID 57107748

IUPAC(2S)-2-amino-1-[4-(aminomethyl)-2H-pyridin-1-yl]-3-methylbutan-1-one
SMILESCC(C)[C@H](N)C(=O)N1C=CC(CN)=CC1
InChIInChI=1S/C11H19N3O/c1-8(2)10(13)11(15)14-5-3-9(7-12)4-6-14/h3-5,8,10H,6-7,12-13H2,1-2H3/t10-/m0/s1
InChIKeySUOZPWFUUWBOLE-JTQLQIEISA-N
MW209.29 g/mol
LogP0.21
Rot. Bonds3

About (2S)-2-amino-1-[4-(aminomethyl)-2H-pyridin-1-yl]-3-methylbutan-1-one

(2S)-2-amino-1-[4-(aminomethyl)-2H-pyridin-1-yl]-3-methylbutan-1-one (PubChem CID 57107748) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(aminomethyl)-2H-pyridin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(aminomethyl)-2H-pyridin-1-yl]-3-methylbutan-1-one
PubChem CID57107748
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(2S)-2-amino-1-[4-(aminomethyl)-2H-pyridin-1-yl]-3-methylbutan-1-one
SMILESCC(C)[C@H](N)C(=O)N1C=CC(CN)=CC1
InChIInChI=1S/C11H19N3O/c1-8(2)10(13)11(15)14-5-3-9(7-12)4-6-14/h3-5,8,10H,6-7,12-13H2,1-2H3/t10-/m0/s1
InChIKeySUOZPWFUUWBOLE-JTQLQIEISA-N
XLogP0.21
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-4,4,4-trifluorobutyl)-2-(5-chloro-3-ethenyl-2-methylidene-1-pyridinyl)-3-methylbutanamide
CID 134189076
1-[2-(Cyclobutylamino)ethyl]-3-propan-2-ylpyridin-2-one
CID 20605478
1-[2-(Ethylamino)ethyl]-3-propan-2-ylpyridin-2-one
CID 20605483
3-Propan-2-yl-1-[2-(propylamino)ethyl]pyridin-2-one
CID 20605549
1-[2-(Tert-butylamino)ethyl]-3-propan-2-ylpyridin-2-one
CID 20605551
(2S,3S)-2-amino-1-[6-(aminomethyl)-2H-pyridin-1-yl]-3-methylpentan-1-one
CID 54026613
(2S,3S)-2-amino-3-methyl-1-(2H-pyridin-1-yl)pentan-1-one
CID 54469930
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
(2S)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylbutan-1-one
CID 103951366
(2S)-2-amino-3-methyl-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 104921223

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(aminomethyl)-2H-pyridin-1-yl]-3-methylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-(aminomethyl)-2H-pyridin-1-yl]-3-methylbutan-1-one (CID 57107748) is (2S)-2-amino-1-[4-(aminomethyl)-2H-pyridin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-(aminomethyl)-2H-pyridin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-(aminomethyl)-2H-pyridin-1-yl]-3-methylbutan-1-one is CC(C)[C@H](N)C(=O)N1C=CC(CN)=CC1.
What is the InChIKey of (2S)-2-amino-1-[4-(aminomethyl)-2H-pyridin-1-yl]-3-methylbutan-1-one?
The InChIKey is SUOZPWFUUWBOLE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)10(13)11(15)14-5-3-9(7-12)4-6-14/h3-5,8,10H,6-7,12-13H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-(aminomethyl)-2H-pyridin-1-yl]-3-methylbutan-1-one?
(2S)-2-amino-1-[4-(aminomethyl)-2H-pyridin-1-yl]-3-methylbutan-1-one has a molecular weight of 209.29 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(aminomethyl)-2H-pyridin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 57107748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).