1-(cycloheptylmethyl)-3-[[(3S)-5-oxopyrrolidin-3-yl]methyl]urea

C14H25N3O2 — CID 164636939

IUPAC1-(cycloheptylmethyl)-3-[[(3S)-5-oxopyrrolidin-3-yl]methyl]urea
SMILESO=C1C[C@H](CNC(=O)NCC2CCCCCC2)CN1
InChIInChI=1S/C14H25N3O2/c18-13-7-12(9-15-13)10-17-14(19)16-8-11-5-3-1-2-4-6-11/h11-12H,1-10H2,(H,15,18)(H2,16,17,19)/t12-/m0/s1
InChIKeyQOZBIRZXYNAJEB-LBPRGKRZSA-N
MW267.37 g/mol
LogP1.39
Rot. Bonds4

About 1-(cycloheptylmethyl)-3-[[(3S)-5-oxopyrrolidin-3-yl]methyl]urea

1-(cycloheptylmethyl)-3-[[(3S)-5-oxopyrrolidin-3-yl]methyl]urea (PubChem CID 164636939) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(cycloheptylmethyl)-3-[[(3S)-5-oxopyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(cycloheptylmethyl)-3-[[(3S)-5-oxopyrrolidin-3-yl]methyl]urea
PubChem CID164636939
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-(cycloheptylmethyl)-3-[[(3S)-5-oxopyrrolidin-3-yl]methyl]urea
SMILESO=C1C[C@H](CNC(=O)NCC2CCCCCC2)CN1
InChIInChI=1S/C14H25N3O2/c18-13-7-12(9-15-13)10-17-14(19)16-8-11-5-3-1-2-4-6-11/h11-12H,1-10H2,(H,15,18)(H2,16,17,19)/t12-/m0/s1
InChIKeyQOZBIRZXYNAJEB-LBPRGKRZSA-N
XLogP1.39
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(cycloheptylmethyl)-3-[[(3S)-5-oxopyrrolidin-3-yl]methyl]urea 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-(cycloheptylmethyl)-3-[[(3S)-5-oxopyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-(cycloheptylmethyl)-3-[[(3S)-5-oxopyrrolidin-3-yl]methyl]urea (CID 164636939) is 1-(cycloheptylmethyl)-3-[[(3S)-5-oxopyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(cycloheptylmethyl)-3-[[(3S)-5-oxopyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-(cycloheptylmethyl)-3-[[(3S)-5-oxopyrrolidin-3-yl]methyl]urea is O=C1C[C@H](CNC(=O)NCC2CCCCCC2)CN1.
What is the InChIKey of 1-(cycloheptylmethyl)-3-[[(3S)-5-oxopyrrolidin-3-yl]methyl]urea?
The InChIKey is QOZBIRZXYNAJEB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25N3O2/c18-13-7-12(9-15-13)10-17-14(19)16-8-11-5-3-1-2-4-6-11/h11-12H,1-10H2,(H,15,18)(H2,16,17,19)/t12-/m0/s1.
What are the key properties of 1-(cycloheptylmethyl)-3-[[(3S)-5-oxopyrrolidin-3-yl]methyl]urea?
1-(cycloheptylmethyl)-3-[[(3S)-5-oxopyrrolidin-3-yl]methyl]urea has a molecular weight of 267.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloheptylmethyl)-3-[[(3S)-5-oxopyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 164636939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).