1-[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]cyclopentyl]-3-ethylurea;hydrochloride

C15H27ClN4O2 — CID 120659189

IUPAC1-[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]cyclopentyl]-3-ethylurea;hydrochloride
SMILESCCNC(=O)NC1(C(=O)N2C[C@H]3CNC[C@H]3C2)CCCC1.Cl
InChIInChI=1S/C15H26N4O2.ClH/c1-2-17-14(21)18-15(5-3-4-6-15)13(20)19-9-11-7-16-8-12(11)10-19;/h11-12,16H,2-10H2,1H3,(H2,17,18,21);1H/t11-,12+;
InChIKeyJLWYMBBMFRUDEV-IWKKHLOMSA-N
MW330.86 g/mol
LogP0.72
Rot. Bonds3

About 1-[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]cyclopentyl]-3-ethylurea;hydrochloride

1-[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]cyclopentyl]-3-ethylurea;hydrochloride (PubChem CID 120659189) has the molecular formula C15H27ClN4O2 and a molecular weight of 330.86 g/mol. Its IUPAC name is 1-[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]cyclopentyl]-3-ethylurea;hydrochloride.

Molecular Properties

Compound Name1-[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]cyclopentyl]-3-ethylurea;hydrochloride
PubChem CID120659189
Molecular FormulaC15H27ClN4O2
Molecular Weight330.86 g/mol
Exact Mass330.18
IUPAC Name1-[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]cyclopentyl]-3-ethylurea;hydrochloride
SMILESCCNC(=O)NC1(C(=O)N2C[C@H]3CNC[C@H]3C2)CCCC1.Cl
InChIInChI=1S/C15H26N4O2.ClH/c1-2-17-14(21)18-15(5-3-4-6-15)13(20)19-9-11-7-16-8-12(11)10-19;/h11-12,16H,2-10H2,1H3,(H2,17,18,21);1H/t11-,12+;
InChIKeyJLWYMBBMFRUDEV-IWKKHLOMSA-N
XLogP0.72
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]cyclopentyl]-3-ethylurea;hydrochloride 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-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]cyclopentyl]-3-ethylurea;hydrochloride?
The IUPAC name of 1-[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]cyclopentyl]-3-ethylurea;hydrochloride (CID 120659189) is 1-[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]cyclopentyl]-3-ethylurea;hydrochloride.
What is the SMILES notation for 1-[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]cyclopentyl]-3-ethylurea;hydrochloride?
The canonical SMILES for 1-[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]cyclopentyl]-3-ethylurea;hydrochloride is CCNC(=O)NC1(C(=O)N2C[C@H]3CNC[C@H]3C2)CCCC1.Cl.
What is the InChIKey of 1-[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]cyclopentyl]-3-ethylurea;hydrochloride?
The InChIKey is JLWYMBBMFRUDEV-IWKKHLOMSA-N. The full InChI is InChI=1S/C15H26N4O2.ClH/c1-2-17-14(21)18-15(5-3-4-6-15)13(20)19-9-11-7-16-8-12(11)10-19;/h11-12,16H,2-10H2,1H3,(H2,17,18,21);1H/t11-,12+;.
What are the key properties of 1-[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]cyclopentyl]-3-ethylurea;hydrochloride?
1-[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]cyclopentyl]-3-ethylurea;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]cyclopentyl]-3-ethylurea;hydrochloride is sourced from PubChem (CID 120659189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).