trans-(1S,2S)-cyclopentane-1,2-dicarboxamide

C7H12N2O2 — CID 778723

IUPACtrans-(1S,2S)-cyclopentane-1,2-dicarboxamide
SMILESNC(=O)[C@H]1CCC[C@@H]1C(N)=O
InChIInChI=1S/C7H12N2O2/c8-6(10)4-2-1-3-5(4)7(9)11/h4-5H,1-3H2,(H2,8,10)(H2,9,11)/t4-,5-/m0/s1
InChIKeyMLNHEBAJXZVWER-WHFBIAKZSA-N
MW156.18 g/mol
LogP-0.63
Rot. Bonds2

About trans-(1S,2S)-cyclopentane-1,2-dicarboxamide

trans-(1S,2S)-cyclopentane-1,2-dicarboxamide (PubChem CID 778723) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is trans-(1S,2S)-cyclopentane-1,2-dicarboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-cyclopentane-1,2-dicarboxamide
PubChem CID778723
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Nametrans-(1S,2S)-cyclopentane-1,2-dicarboxamide
SMILESNC(=O)[C@H]1CCC[C@@H]1C(N)=O
InChIInChI=1S/C7H12N2O2/c8-6(10)4-2-1-3-5(4)7(9)11/h4-5H,1-3H2,(H2,8,10)(H2,9,11)/t4-,5-/m0/s1
InChIKeyMLNHEBAJXZVWER-WHFBIAKZSA-N
XLogP-0.63
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1S,2S)-cyclopentane-1,2-dicarboxamide 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 trans-(1S,2S)-cyclopentane-1,2-dicarboxamide?
The IUPAC name of trans-(1S,2S)-cyclopentane-1,2-dicarboxamide (CID 778723) is trans-(1S,2S)-cyclopentane-1,2-dicarboxamide.
What is the SMILES notation for trans-(1S,2S)-cyclopentane-1,2-dicarboxamide?
The canonical SMILES for trans-(1S,2S)-cyclopentane-1,2-dicarboxamide is NC(=O)[C@H]1CCC[C@@H]1C(N)=O.
What is the InChIKey of trans-(1S,2S)-cyclopentane-1,2-dicarboxamide?
The InChIKey is MLNHEBAJXZVWER-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H12N2O2/c8-6(10)4-2-1-3-5(4)7(9)11/h4-5H,1-3H2,(H2,8,10)(H2,9,11)/t4-,5-/m0/s1.
What are the key properties of trans-(1S,2S)-cyclopentane-1,2-dicarboxamide?
trans-(1S,2S)-cyclopentane-1,2-dicarboxamide has a molecular weight of 156.18 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-cyclopentane-1,2-dicarboxamide is sourced from PubChem (CID 778723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).