(3S,4S)-3-amino-4-(furan-2-yl)-1,4-dimethylazetidin-2-one

C9H12N2O2 — CID 129451986

IUPAC(3S,4S)-3-amino-4-(furan-2-yl)-1,4-dimethylazetidin-2-one
SMILESCN1C(=O)[C@@H](N)[C@@]1(C)c1ccco1
InChIInChI=1S/C9H12N2O2/c1-9(6-4-3-5-13-6)7(10)8(12)11(9)2/h3-5,7H,10H2,1-2H3/t7-,9-/m1/s1
InChIKeyRLZCRYFMEMOHIW-VXNVDRBHSA-N
MW180.21 g/mol
LogP0.29
Rot. Bonds1

About (3S,4S)-3-amino-4-(furan-2-yl)-1,4-dimethylazetidin-2-one

(3S,4S)-3-amino-4-(furan-2-yl)-1,4-dimethylazetidin-2-one (PubChem CID 129451986) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (3S,4S)-3-amino-4-(furan-2-yl)-1,4-dimethylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-amino-4-(furan-2-yl)-1,4-dimethylazetidin-2-one
PubChem CID129451986
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(3S,4S)-3-amino-4-(furan-2-yl)-1,4-dimethylazetidin-2-one
SMILESCN1C(=O)[C@@H](N)[C@@]1(C)c1ccco1
InChIInChI=1S/C9H12N2O2/c1-9(6-4-3-5-13-6)7(10)8(12)11(9)2/h3-5,7H,10H2,1-2H3/t7-,9-/m1/s1
InChIKeyRLZCRYFMEMOHIW-VXNVDRBHSA-N
XLogP0.29
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-amino-4-(furan-2-yl)-1,4-dimethylazetidin-2-one?
The IUPAC name of (3S,4S)-3-amino-4-(furan-2-yl)-1,4-dimethylazetidin-2-one (CID 129451986) is (3S,4S)-3-amino-4-(furan-2-yl)-1,4-dimethylazetidin-2-one.
What is the SMILES notation for (3S,4S)-3-amino-4-(furan-2-yl)-1,4-dimethylazetidin-2-one?
The canonical SMILES for (3S,4S)-3-amino-4-(furan-2-yl)-1,4-dimethylazetidin-2-one is CN1C(=O)[C@@H](N)[C@@]1(C)c1ccco1.
What is the InChIKey of (3S,4S)-3-amino-4-(furan-2-yl)-1,4-dimethylazetidin-2-one?
The InChIKey is RLZCRYFMEMOHIW-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-9(6-4-3-5-13-6)7(10)8(12)11(9)2/h3-5,7H,10H2,1-2H3/t7-,9-/m1/s1.
What are the key properties of (3S,4S)-3-amino-4-(furan-2-yl)-1,4-dimethylazetidin-2-one?
(3S,4S)-3-amino-4-(furan-2-yl)-1,4-dimethylazetidin-2-one has a molecular weight of 180.21 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-amino-4-(furan-2-yl)-1,4-dimethylazetidin-2-one is sourced from PubChem (CID 129451986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).