1-amino-3-(methylcarbamoyl)cyclopentan-1-olate

C7H13N2O2- — CID 59468682

IUPAC1-amino-3-(methylcarbamoyl)cyclopentan-1-olate
SMILESCNC(=O)C1CCC(N)([O-])C1
InChIInChI=1S/C7H13N2O2/c1-9-6(10)5-2-3-7(8,11)4-5/h5H,2-4,8H2,1H3,(H,9,10)/q-1
InChIKeyPJVJBEFPFVODFD-UHFFFAOYSA-N
MW157.19 g/mol
LogP-1.45
Rot. Bonds1

About 1-amino-3-(methylcarbamoyl)cyclopentan-1-olate

1-amino-3-(methylcarbamoyl)cyclopentan-1-olate (PubChem CID 59468682) has the molecular formula C7H13N2O2- and a molecular weight of 157.19 g/mol. Its IUPAC name is 1-amino-3-(methylcarbamoyl)cyclopentan-1-olate.

Molecular Properties

Compound Name1-amino-3-(methylcarbamoyl)cyclopentan-1-olate
PubChem CID59468682
Molecular FormulaC7H13N2O2-
Molecular Weight157.19 g/mol
Exact Mass157.10
IUPAC Name1-amino-3-(methylcarbamoyl)cyclopentan-1-olate
SMILESCNC(=O)C1CCC(N)([O-])C1
InChIInChI=1S/C7H13N2O2/c1-9-6(10)5-2-3-7(8,11)4-5/h5H,2-4,8H2,1H3,(H,9,10)/q-1
InChIKeyPJVJBEFPFVODFD-UHFFFAOYSA-N
XLogP-1.45
TPSA78.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(methylcarbamoyl)cyclopentan-1-olate?
The IUPAC name of 1-amino-3-(methylcarbamoyl)cyclopentan-1-olate (CID 59468682) is 1-amino-3-(methylcarbamoyl)cyclopentan-1-olate.
What is the SMILES notation for 1-amino-3-(methylcarbamoyl)cyclopentan-1-olate?
The canonical SMILES for 1-amino-3-(methylcarbamoyl)cyclopentan-1-olate is CNC(=O)C1CCC(N)([O-])C1.
What is the InChIKey of 1-amino-3-(methylcarbamoyl)cyclopentan-1-olate?
The InChIKey is PJVJBEFPFVODFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N2O2/c1-9-6(10)5-2-3-7(8,11)4-5/h5H,2-4,8H2,1H3,(H,9,10)/q-1.
What are the key properties of 1-amino-3-(methylcarbamoyl)cyclopentan-1-olate?
1-amino-3-(methylcarbamoyl)cyclopentan-1-olate has a molecular weight of 157.19 g/mol, XLogP of -1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(methylcarbamoyl)cyclopentan-1-olate is sourced from PubChem (CID 59468682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).