cis-methyl (1R,3R)-3-[N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2,3-trimethylcyclopentane-1-carboxylate

C13H23N3O3 — CID 7159280

IUPACcis-methyl (1R,3R)-3-[N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2,3-trimethylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@@](C)(C(C)=NNC(N)=O)C1(C)C
InChIInChI=1S/C13H23N3O3/c1-8(15-16-11(14)18)13(4)7-6-9(10(17)19-5)12(13,2)3/h9H,6-7H2,1-5H3,(H3,14,16,18)/t9-,13-/m0/s1
InChIKeyXRDWRSBTFFBFNP-ZANVPECISA-N
MW269.34 g/mol
LogP1.65
Rot. Bonds3

About cis-methyl (1R,3R)-3-[N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2,3-trimethylcyclopentane-1-carboxylate

cis-methyl (1R,3R)-3-[N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2,3-trimethylcyclopentane-1-carboxylate (PubChem CID 7159280) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is cis-methyl (1R,3R)-3-[N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2,3-trimethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,3R)-3-[N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2,3-trimethylcyclopentane-1-carboxylate
PubChem CID7159280
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Namecis-methyl (1R,3R)-3-[N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2,3-trimethylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@@](C)(C(C)=NNC(N)=O)C1(C)C
InChIInChI=1S/C13H23N3O3/c1-8(15-16-11(14)18)13(4)7-6-9(10(17)19-5)12(13,2)3/h9H,6-7H2,1-5H3,(H3,14,16,18)/t9-,13-/m0/s1
InChIKeyXRDWRSBTFFBFNP-ZANVPECISA-N
XLogP1.65
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze cis-methyl (1R,3R)-3-[N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2,3-trimethylcyclopentane-1-carboxylate 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 cis-methyl (1R,3R)-3-[N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2,3-trimethylcyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1R,3R)-3-[N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2,3-trimethylcyclopentane-1-carboxylate (CID 7159280) is cis-methyl (1R,3R)-3-[N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2,3-trimethylcyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,3R)-3-[N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2,3-trimethylcyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,3R)-3-[N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2,3-trimethylcyclopentane-1-carboxylate is COC(=O)[C@@H]1CC[C@@](C)(C(C)=NNC(N)=O)C1(C)C.
What is the InChIKey of cis-methyl (1R,3R)-3-[N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2,3-trimethylcyclopentane-1-carboxylate?
The InChIKey is XRDWRSBTFFBFNP-ZANVPECISA-N. The full InChI is InChI=1S/C13H23N3O3/c1-8(15-16-11(14)18)13(4)7-6-9(10(17)19-5)12(13,2)3/h9H,6-7H2,1-5H3,(H3,14,16,18)/t9-,13-/m0/s1.
What are the key properties of cis-methyl (1R,3R)-3-[N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2,3-trimethylcyclopentane-1-carboxylate?
cis-methyl (1R,3R)-3-[N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2,3-trimethylcyclopentane-1-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,3R)-3-[N-(carbamoylamino)-C-methylcarbonimidoyl]-2,2,3-trimethylcyclopentane-1-carboxylate is sourced from PubChem (CID 7159280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).