methyl 2-(carbamoylamino)cyclopentene-1-carboxylate

C8H12N2O3 — CID 67173697

IUPACmethyl 2-(carbamoylamino)cyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(NC(N)=O)CCC1
InChIInChI=1S/C8H12N2O3/c1-13-7(11)5-3-2-4-6(5)10-8(9)12/h2-4H2,1H3,(H3,9,10,12)
InChIKeySUBDOCMHBSQMEW-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.27
Rot. Bonds2

About methyl 2-(carbamoylamino)cyclopentene-1-carboxylate

methyl 2-(carbamoylamino)cyclopentene-1-carboxylate (PubChem CID 67173697) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is methyl 2-(carbamoylamino)cyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(carbamoylamino)cyclopentene-1-carboxylate
PubChem CID67173697
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Namemethyl 2-(carbamoylamino)cyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(NC(N)=O)CCC1
InChIInChI=1S/C8H12N2O3/c1-13-7(11)5-3-2-4-6(5)10-8(9)12/h2-4H2,1H3,(H3,9,10,12)
InChIKeySUBDOCMHBSQMEW-UHFFFAOYSA-N
XLogP0.27
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(carbamoylamino)cyclopentene-1-carboxylate?
The IUPAC name of methyl 2-(carbamoylamino)cyclopentene-1-carboxylate (CID 67173697) is methyl 2-(carbamoylamino)cyclopentene-1-carboxylate.
What is the SMILES notation for methyl 2-(carbamoylamino)cyclopentene-1-carboxylate?
The canonical SMILES for methyl 2-(carbamoylamino)cyclopentene-1-carboxylate is COC(=O)C1=C(NC(N)=O)CCC1.
What is the InChIKey of methyl 2-(carbamoylamino)cyclopentene-1-carboxylate?
The InChIKey is SUBDOCMHBSQMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-13-7(11)5-3-2-4-6(5)10-8(9)12/h2-4H2,1H3,(H3,9,10,12).
What are the key properties of methyl 2-(carbamoylamino)cyclopentene-1-carboxylate?
methyl 2-(carbamoylamino)cyclopentene-1-carboxylate has a molecular weight of 184.19 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(carbamoylamino)cyclopentene-1-carboxylate is sourced from PubChem (CID 67173697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).