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

C12H24N2O2 — CID 107219842

IUPAC(2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one
SMILESCCCC1(O)CN(C(=O)[C@@H](N)C(C)CC)C1
InChIInChI=1S/C12H24N2O2/c1-4-6-12(16)7-14(8-12)11(15)10(13)9(3)5-2/h9-10,16H,4-8,13H2,1-3H3/t9?,10-/m0/s1
InChIKeyHQYNZESEEKEXLO-AXDSSHIGSA-N
MW228.34 g/mol
LogP0.73
Rot. Bonds5

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

(2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one (PubChem CID 107219842) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one
PubChem CID107219842
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one
SMILESCCCC1(O)CN(C(=O)[C@@H](N)C(C)CC)C1
InChIInChI=1S/C12H24N2O2/c1-4-6-12(16)7-14(8-12)11(15)10(13)9(3)5-2/h9-10,16H,4-8,13H2,1-3H3/t9?,10-/m0/s1
InChIKeyHQYNZESEEKEXLO-AXDSSHIGSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-methylpentan-1-one
CID 107219570
(2S)-2-amino-3-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-1-one
CID 102743783
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
(2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)hexan-1-one
CID 107219890
2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-4-methoxybutan-1-one
CID 107220007
1-(3-hydroxy-3-propylazetidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 107219833
(2S,3S)-2-amino-1-(3-hydroxyazetidin-1-yl)-3-methylpentan-1-one
CID 103950797
ethyl 4-(2-amino-3-methylpentanoyl)piperazine-1-carboxylate
CID 61041155
(2S,3S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylpentan-1-one
CID 63160102
2-amino-1-(2-azaspiro[5.5]undecan-2-yl)-3-methylpentan-1-one;hydrochloride
CID 119784774
2-amino-1-(3-azaspiro[5.5]undecan-3-yl)-3-methylpentan-1-one
CID 62931087
2-amino-1-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 119794424

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one?
The IUPAC name of (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one (CID 107219842) is (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one?
The canonical SMILES for (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one is CCCC1(O)CN(C(=O)[C@@H](N)C(C)CC)C1.
What is the InChIKey of (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one?
The InChIKey is HQYNZESEEKEXLO-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-6-12(16)7-14(8-12)11(15)10(13)9(3)5-2/h9-10,16H,4-8,13H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one?
(2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one is sourced from PubChem (CID 107219842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).