4-amino-1-(3-hydroxy-3-propylazetidin-1-yl)butan-1-one

C10H20N2O2 — CID 107219960

IUPAC4-amino-1-(3-hydroxy-3-propylazetidin-1-yl)butan-1-one
SMILESCCCC1(O)CN(C(=O)CCCN)C1
InChIInChI=1S/C10H20N2O2/c1-2-5-10(14)7-12(8-10)9(13)4-3-6-11/h14H,2-8,11H2,1H3
InChIKeyGRQCQCNWEPCNME-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.10
Rot. Bonds5

About 4-amino-1-(3-hydroxy-3-propylazetidin-1-yl)butan-1-one

4-amino-1-(3-hydroxy-3-propylazetidin-1-yl)butan-1-one (PubChem CID 107219960) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-amino-1-(3-hydroxy-3-propylazetidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(3-hydroxy-3-propylazetidin-1-yl)butan-1-one
PubChem CID107219960
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-amino-1-(3-hydroxy-3-propylazetidin-1-yl)butan-1-one
SMILESCCCC1(O)CN(C(=O)CCCN)C1
InChIInChI=1S/C10H20N2O2/c1-2-5-10(14)7-12(8-10)9(13)4-3-6-11/h14H,2-8,11H2,1H3
InChIKeyGRQCQCNWEPCNME-UHFFFAOYSA-N
XLogP0.10
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)butan-1-one
CID 107219689
3-chloro-1-(3-hydroxy-3-propylazetidin-1-yl)propan-1-one
CID 107216677
4-amino-1-(3-methyl-3-propylpiperidin-1-yl)butan-1-one
CID 119328278
2-(1-aminocyclobutyl)-1-(3-hydroxy-3-propylazetidin-1-yl)ethanone
CID 107219978
[1-(aminomethyl)cyclobutyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107219838
(1-aminocyclobutyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107219940
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
6-amino-1-(3,3-difluoroazetidin-1-yl)hexan-1-one
CID 91109495
(2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)hexan-1-one
CID 107219890
1-(6-aminohexanoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125457
[1-(3-aminopropyl)-5-methylpyrazol-4-yl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107211825

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-hydroxy-3-propylazetidin-1-yl)butan-1-one?
The IUPAC name of 4-amino-1-(3-hydroxy-3-propylazetidin-1-yl)butan-1-one (CID 107219960) is 4-amino-1-(3-hydroxy-3-propylazetidin-1-yl)butan-1-one.
What is the SMILES notation for 4-amino-1-(3-hydroxy-3-propylazetidin-1-yl)butan-1-one?
The canonical SMILES for 4-amino-1-(3-hydroxy-3-propylazetidin-1-yl)butan-1-one is CCCC1(O)CN(C(=O)CCCN)C1.
What is the InChIKey of 4-amino-1-(3-hydroxy-3-propylazetidin-1-yl)butan-1-one?
The InChIKey is GRQCQCNWEPCNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-5-10(14)7-12(8-10)9(13)4-3-6-11/h14H,2-8,11H2,1H3.
What are the key properties of 4-amino-1-(3-hydroxy-3-propylazetidin-1-yl)butan-1-one?
4-amino-1-(3-hydroxy-3-propylazetidin-1-yl)butan-1-one has a molecular weight of 200.28 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-hydroxy-3-propylazetidin-1-yl)butan-1-one is sourced from PubChem (CID 107219960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).