2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-4-methoxybutan-1-one

C11H22N2O3 — CID 107220007

IUPAC2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-4-methoxybutan-1-one
SMILESCCCC1(O)CN(C(=O)C(N)CCOC)C1
InChIInChI=1S/C11H22N2O3/c1-3-5-11(15)7-13(8-11)10(14)9(12)4-6-16-2/h9,15H,3-8,12H2,1-2H3
InChIKeyUKDQIPWYZBVAQQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.28
Rot. Bonds6

About 2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-4-methoxybutan-1-one

2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-4-methoxybutan-1-one (PubChem CID 107220007) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-4-methoxybutan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-4-methoxybutan-1-one
PubChem CID107220007
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-4-methoxybutan-1-one
SMILESCCCC1(O)CN(C(=O)C(N)CCOC)C1
InChIInChI=1S/C11H22N2O3/c1-3-5-11(15)7-13(8-11)10(14)9(12)4-6-16-2/h9,15H,3-8,12H2,1-2H3
InChIKeyUKDQIPWYZBVAQQ-UHFFFAOYSA-N
XLogP-0.28
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)hexan-1-one
CID 107219890
(2S)-2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-3-methylpentan-1-one
CID 107219842
2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-4-methoxybutan-1-one
CID 103533201
butyl 4-(2-amino-4-methoxybutanoyl)piperazine-1-carboxylate
CID 68599877
2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-5-methoxypentan-1-one
CID 107218930
2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxybutan-1-one
CID 107217277
2-amino-4-methoxy-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 66370036
1-(2-amino-4-methoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981624
2-amino-4-methoxy-1-(3-propoxypiperidin-1-yl)butan-1-one
CID 62473426
2-amino-1-(1,3-dihydroisoindol-2-yl)-4-methoxybutan-1-one
CID 62476291
1-(3-hydroxy-3-propylazetidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 107219833
2-amino-1-(2-ethyl-1,4-oxazepan-4-yl)-4-methoxybutan-1-one
CID 114218401

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-4-methoxybutan-1-one?
The IUPAC name of 2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-4-methoxybutan-1-one (CID 107220007) is 2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-4-methoxybutan-1-one.
What is the SMILES notation for 2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-4-methoxybutan-1-one?
The canonical SMILES for 2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-4-methoxybutan-1-one is CCCC1(O)CN(C(=O)C(N)CCOC)C1.
What is the InChIKey of 2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-4-methoxybutan-1-one?
The InChIKey is UKDQIPWYZBVAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-5-11(15)7-13(8-11)10(14)9(12)4-6-16-2/h9,15H,3-8,12H2,1-2H3.
What are the key properties of 2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-4-methoxybutan-1-one?
2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-4-methoxybutan-1-one has a molecular weight of 230.31 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-4-methoxybutan-1-one is sourced from PubChem (CID 107220007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).