3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-2-one

C9H14N4O — CID 130549375

IUPAC3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-2-one
SMILESCc1nccn1CCN1CC(N)C1=O
InChIInChI=1S/C9H14N4O/c1-7-11-2-3-12(7)4-5-13-6-8(10)9(13)14/h2-3,8H,4-6,10H2,1H3
InChIKeyKBKDJBGKFHICJD-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.64
Rot. Bonds3

About 3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-2-one

3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-2-one (PubChem CID 130549375) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-2-one.

Molecular Properties

Compound Name3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-2-one
PubChem CID130549375
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-2-one
SMILESCc1nccn1CCN1CC(N)C1=O
InChIInChI=1S/C9H14N4O/c1-7-11-2-3-12(7)4-5-13-6-8(10)9(13)14/h2-3,8H,4-6,10H2,1H3
InChIKeyKBKDJBGKFHICJD-UHFFFAOYSA-N
XLogP-0.64
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-2-one?
The IUPAC name of 3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-2-one (CID 130549375) is 3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-2-one.
What is the SMILES notation for 3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-2-one?
The canonical SMILES for 3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-2-one is Cc1nccn1CCN1CC(N)C1=O.
What is the InChIKey of 3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-2-one?
The InChIKey is KBKDJBGKFHICJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-7-11-2-3-12(7)4-5-13-6-8(10)9(13)14/h2-3,8H,4-6,10H2,1H3.
What are the key properties of 3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-2-one?
3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-2-one has a molecular weight of 194.24 g/mol, XLogP of -0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]azetidin-2-one is sourced from PubChem (CID 130549375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).