1-(1-acetylazetidin-3-yl)-3-[(2R)-2-cyclopropylpropyl]urea

C12H21N3O2 — CID 164637878

IUPAC1-(1-acetylazetidin-3-yl)-3-[(2R)-2-cyclopropylpropyl]urea
SMILESCC(=O)N1CC(NC(=O)NC[C@H](C)C2CC2)C1
InChIInChI=1S/C12H21N3O2/c1-8(10-3-4-10)5-13-12(17)14-11-6-15(7-11)9(2)16/h8,10-11H,3-7H2,1-2H3,(H2,13,14,17)/t8-/m0/s1
InChIKeyLWAABIAPHCDYSU-QMMMGPOBSA-N
MW239.32 g/mol
LogP0.56
Rot. Bonds4

About 1-(1-acetylazetidin-3-yl)-3-[(2R)-2-cyclopropylpropyl]urea

1-(1-acetylazetidin-3-yl)-3-[(2R)-2-cyclopropylpropyl]urea (PubChem CID 164637878) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(1-acetylazetidin-3-yl)-3-[(2R)-2-cyclopropylpropyl]urea.

Molecular Properties

Compound Name1-(1-acetylazetidin-3-yl)-3-[(2R)-2-cyclopropylpropyl]urea
PubChem CID164637878
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-(1-acetylazetidin-3-yl)-3-[(2R)-2-cyclopropylpropyl]urea
SMILESCC(=O)N1CC(NC(=O)NC[C@H](C)C2CC2)C1
InChIInChI=1S/C12H21N3O2/c1-8(10-3-4-10)5-13-12(17)14-11-6-15(7-11)9(2)16/h8,10-11H,3-7H2,1-2H3,(H2,13,14,17)/t8-/m0/s1
InChIKeyLWAABIAPHCDYSU-QMMMGPOBSA-N
XLogP0.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylazetidin-3-yl)-3-[(2R)-2-cyclopropylpropyl]urea?
The IUPAC name of 1-(1-acetylazetidin-3-yl)-3-[(2R)-2-cyclopropylpropyl]urea (CID 164637878) is 1-(1-acetylazetidin-3-yl)-3-[(2R)-2-cyclopropylpropyl]urea.
What is the SMILES notation for 1-(1-acetylazetidin-3-yl)-3-[(2R)-2-cyclopropylpropyl]urea?
The canonical SMILES for 1-(1-acetylazetidin-3-yl)-3-[(2R)-2-cyclopropylpropyl]urea is CC(=O)N1CC(NC(=O)NC[C@H](C)C2CC2)C1.
What is the InChIKey of 1-(1-acetylazetidin-3-yl)-3-[(2R)-2-cyclopropylpropyl]urea?
The InChIKey is LWAABIAPHCDYSU-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(10-3-4-10)5-13-12(17)14-11-6-15(7-11)9(2)16/h8,10-11H,3-7H2,1-2H3,(H2,13,14,17)/t8-/m0/s1.
What are the key properties of 1-(1-acetylazetidin-3-yl)-3-[(2R)-2-cyclopropylpropyl]urea?
1-(1-acetylazetidin-3-yl)-3-[(2R)-2-cyclopropylpropyl]urea has a molecular weight of 239.32 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylazetidin-3-yl)-3-[(2R)-2-cyclopropylpropyl]urea is sourced from PubChem (CID 164637878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).