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

2-[1-(4-amino-3-methoxybutanoyl)azetidin-3-yl]acetic acid
CID 103156000
4-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxybutan-1-one
CID 106668761
4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 103156847
4-amino-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methoxybutan-1-one
CID 103156842
4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103532964
4-amino-3-methoxy-1-[3-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 120592110
4-amino-1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-methoxybutan-1-one
CID 120596449
4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one
CID 103154344
4-amino-3-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 103155852
4-amino-3-methoxy-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 103155298
4-amino-3-methoxy-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120595485
4-amino-1-[3-(diethylamino)pyrrolidin-1-yl]-3-methoxybutan-1-one;dihydrochloride
CID 120595144

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).