4-amino-1-[3-(hydroxymethyl)azetidin-1-yl]-3-methoxybutan-1-one

C9H18N2O3 — CID 107220567

IUPAC4-amino-1-[3-(hydroxymethyl)azetidin-1-yl]-3-methoxybutan-1-one
SMILESCOC(CN)CC(=O)N1CC(CO)C1
InChIInChI=1S/C9H18N2O3/c1-14-8(3-10)2-9(13)11-4-7(5-11)6-12/h7-8,12H,2-6,10H2,1H3
InChIKeySYEBVGABZXLSSO-UHFFFAOYSA-N
MW202.25 g/mol
LogP-1.20
Rot. Bonds5

About 4-amino-1-[3-(hydroxymethyl)azetidin-1-yl]-3-methoxybutan-1-one

4-amino-1-[3-(hydroxymethyl)azetidin-1-yl]-3-methoxybutan-1-one (PubChem CID 107220567) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-amino-1-[3-(hydroxymethyl)azetidin-1-yl]-3-methoxybutan-1-one.

Molecular Properties

Compound Name4-amino-1-[3-(hydroxymethyl)azetidin-1-yl]-3-methoxybutan-1-one
PubChem CID107220567
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name4-amino-1-[3-(hydroxymethyl)azetidin-1-yl]-3-methoxybutan-1-one
SMILESCOC(CN)CC(=O)N1CC(CO)C1
InChIInChI=1S/C9H18N2O3/c1-14-8(3-10)2-9(13)11-4-7(5-11)6-12/h7-8,12H,2-6,10H2,1H3
InChIKeySYEBVGABZXLSSO-UHFFFAOYSA-N
XLogP-1.20
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(Aminomethyl)azetidin-1-yl]-3-hydroxybutan-1-one
CID 54174409
3-Hydroxy-1-[3-(methylaminomethyl)azetidin-1-yl]butan-1-one
CID 54247348
4-amino-N-butyl-3-hydroxybutanamide
CID 88532749
4-(dimethylamino)-N-ethyl-3-hydroxybutanamide
CID 153398996
(3S)-4-(dimethylamino)-3-hydroxy-N-(2-methylpropyl)butanamide
CID 166764721
[4-(Ethylamino)-2-hydroxy-4-oxobutyl]-trimethylazanium
CID 167554750
(3R)-N-ethyl-3-hydroxy-4-(2-methylpropanoylamino)butanamide
CID 172574807
2-(azetidin-3-yl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 64609370
2-(azetidin-3-yl)-N-(3-hydroxybutyl)acetamide
CID 64912045
4-[3-(hydroxymethyl)azetidin-1-yl]-N-methylbutanamide
CID 65987023
N-[4-[3-(hydroxymethyl)azetidin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide
CID 65992184
4-amino-N,N-diethyl-3-hydroxybutanamide
CID 66432107

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3-(hydroxymethyl)azetidin-1-yl]-3-methoxybutan-1-one?
The IUPAC name of 4-amino-1-[3-(hydroxymethyl)azetidin-1-yl]-3-methoxybutan-1-one (CID 107220567) is 4-amino-1-[3-(hydroxymethyl)azetidin-1-yl]-3-methoxybutan-1-one.
What is the SMILES notation for 4-amino-1-[3-(hydroxymethyl)azetidin-1-yl]-3-methoxybutan-1-one?
The canonical SMILES for 4-amino-1-[3-(hydroxymethyl)azetidin-1-yl]-3-methoxybutan-1-one is COC(CN)CC(=O)N1CC(CO)C1.
What is the InChIKey of 4-amino-1-[3-(hydroxymethyl)azetidin-1-yl]-3-methoxybutan-1-one?
The InChIKey is SYEBVGABZXLSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-14-8(3-10)2-9(13)11-4-7(5-11)6-12/h7-8,12H,2-6,10H2,1H3.
What are the key properties of 4-amino-1-[3-(hydroxymethyl)azetidin-1-yl]-3-methoxybutan-1-one?
4-amino-1-[3-(hydroxymethyl)azetidin-1-yl]-3-methoxybutan-1-one has a molecular weight of 202.25 g/mol, XLogP of -1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-(hydroxymethyl)azetidin-1-yl]-3-methoxybutan-1-one is sourced from PubChem (CID 107220567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).