2-(azetidin-3-ylidene)-N-[(2R)-1-hydroxybutan-2-yl]propanamide

C10H18N2O2 — CID 107221275

IUPAC2-(azetidin-3-ylidene)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
SMILESCC[C@H](CO)NC(=O)C(C)=C1CNC1
InChIInChI=1S/C10H18N2O2/c1-3-9(6-13)12-10(14)7(2)8-4-11-5-8/h9,11,13H,3-6H2,1-2H3,(H,12,14)/t9-/m1/s1
InChIKeyPRJDLQPRUWSTQP-SECBINFHSA-N
MW198.27 g/mol
LogP-0.21
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-[(2R)-1-hydroxybutan-2-yl]propanamide

2-(azetidin-3-ylidene)-N-[(2R)-1-hydroxybutan-2-yl]propanamide (PubChem CID 107221275) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[(2R)-1-hydroxybutan-2-yl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
PubChem CID107221275
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-(azetidin-3-ylidene)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
SMILESCC[C@H](CO)NC(=O)C(C)=C1CNC1
InChIInChI=1S/C10H18N2O2/c1-3-9(6-13)12-10(14)7(2)8-4-11-5-8/h9,11,13H,3-6H2,1-2H3,(H,12,14)/t9-/m1/s1
InChIKeyPRJDLQPRUWSTQP-SECBINFHSA-N
XLogP-0.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[(2R)-1-hydroxybutan-2-yl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[(2R)-1-hydroxybutan-2-yl]propanamide (CID 107221275) is 2-(azetidin-3-ylidene)-N-[(2R)-1-hydroxybutan-2-yl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[(2R)-1-hydroxybutan-2-yl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[(2R)-1-hydroxybutan-2-yl]propanamide is CC[C@H](CO)NC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[(2R)-1-hydroxybutan-2-yl]propanamide?
The InChIKey is PRJDLQPRUWSTQP-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-9(6-13)12-10(14)7(2)8-4-11-5-8/h9,11,13H,3-6H2,1-2H3,(H,12,14)/t9-/m1/s1.
What are the key properties of 2-(azetidin-3-ylidene)-N-[(2R)-1-hydroxybutan-2-yl]propanamide?
2-(azetidin-3-ylidene)-N-[(2R)-1-hydroxybutan-2-yl]propanamide has a molecular weight of 198.27 g/mol, XLogP of -0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[(2R)-1-hydroxybutan-2-yl]propanamide is sourced from PubChem (CID 107221275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).