2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-2-methylpentan-1-one

C12H24N2O2 — CID 107219893

IUPAC2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-2-methylpentan-1-one
SMILESCCCC1(O)CN(C(=O)C(C)(N)CCC)C1
InChIInChI=1S/C12H24N2O2/c1-4-6-11(3,13)10(15)14-8-12(16,9-14)7-5-2/h16H,4-9,13H2,1-3H3
InChIKeyIIIKQVDGJJQMMO-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.88
Rot. Bonds5

About 2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-2-methylpentan-1-one

2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-2-methylpentan-1-one (PubChem CID 107219893) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-2-methylpentan-1-one
PubChem CID107219893
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-2-methylpentan-1-one
SMILESCCCC1(O)CN(C(=O)C(C)(N)CCC)C1
InChIInChI=1S/C12H24N2O2/c1-4-6-11(3,13)10(15)14-8-12(16,9-14)7-5-2/h16H,4-9,13H2,1-3H3
InChIKeyIIIKQVDGJJQMMO-UHFFFAOYSA-N
XLogP0.88
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(2,2-dimethylthiomorpholin-4-yl)-2-methylpentan-1-one;hydrochloride
CID 119791877
2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-2-methylpentan-1-one
CID 119784789
2-amino-1-(4-ethylpiperazin-1-yl)-2-methylpentan-1-one;dihydrochloride
CID 119826659
4-(3-hydroxy-3-propylazetidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 107214583
1-(3-hydroxy-3-propylazetidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112603201
(1-aminocyclobutyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107219940
2-[1-(2-amino-2-methylpentanoyl)azetidin-3-yl]acetic acid
CID 64604208
2-amino-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 60940159
2-amino-2-methyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-1-one
CID 60848035
2-amino-2-methyl-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one
CID 60963266
4-amino-1-(3-hydroxy-3-propylazetidin-1-yl)butan-1-one
CID 107219960
2-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpentan-1-one
CID 63634380

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-2-methylpentan-1-one?
The IUPAC name of 2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-2-methylpentan-1-one (CID 107219893) is 2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-2-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-2-methylpentan-1-one?
The canonical SMILES for 2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-2-methylpentan-1-one is CCCC1(O)CN(C(=O)C(C)(N)CCC)C1.
What is the InChIKey of 2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-2-methylpentan-1-one?
The InChIKey is IIIKQVDGJJQMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-6-11(3,13)10(15)14-8-12(16,9-14)7-5-2/h16H,4-9,13H2,1-3H3.
What are the key properties of 2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-2-methylpentan-1-one?
2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-2-methylpentan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-2-methylpentan-1-one is sourced from PubChem (CID 107219893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).