1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea

C13H23N3O2 — CID 53016496

IUPAC1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCN(C(=O)C2CCC2)C1
InChIInChI=1S/C13H23N3O2/c1-9(2)14-13(18)15-11-6-7-16(8-11)12(17)10-4-3-5-10/h9-11H,3-8H2,1-2H3,(H2,14,15,18)
InChIKeyMHNFAFSKZWQHCO-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.10
Rot. Bonds3

About 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea

1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea (PubChem CID 53016496) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea
PubChem CID53016496
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCN(C(=O)C2CCC2)C1
InChIInChI=1S/C13H23N3O2/c1-9(2)14-13(18)15-11-6-7-16(8-11)12(17)10-4-3-5-10/h9-11H,3-8H2,1-2H3,(H2,14,15,18)
InChIKeyMHNFAFSKZWQHCO-UHFFFAOYSA-N
XLogP1.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea (CID 53016496) is 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea is CC(C)NC(=O)NC1CCN(C(=O)C2CCC2)C1.
What is the InChIKey of 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea?
The InChIKey is MHNFAFSKZWQHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)14-13(18)15-11-6-7-16(8-11)12(17)10-4-3-5-10/h9-11H,3-8H2,1-2H3,(H2,14,15,18).
What are the key properties of 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea?
1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea has a molecular weight of 253.35 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-3-propan-2-ylurea is sourced from PubChem (CID 53016496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).