3-amino-N-carbamoylbicyclo[2.2.1]heptane-2-carboxamide

C9H15N3O2 — CID 79194327

IUPAC3-amino-N-carbamoylbicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=O)NC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C9H15N3O2/c10-7-5-2-1-4(3-5)6(7)8(13)12-9(11)14/h4-7H,1-3,10H2,(H3,11,12,13,14)
InChIKeyGCQLEBLEOJBESS-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.45
Rot. Bonds1

About 3-amino-N-carbamoylbicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-carbamoylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 79194327) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-amino-N-carbamoylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-carbamoylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID79194327
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-amino-N-carbamoylbicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=O)NC(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C9H15N3O2/c10-7-5-2-1-4(3-5)6(7)8(13)12-9(11)14/h4-7H,1-3,10H2,(H3,11,12,13,14)
InChIKeyGCQLEBLEOJBESS-UHFFFAOYSA-N
XLogP-0.45
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-carbamoylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-carbamoylbicyclo[2.2.1]heptane-2-carboxamide (CID 79194327) is 3-amino-N-carbamoylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-carbamoylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-carbamoylbicyclo[2.2.1]heptane-2-carboxamide is NC(=O)NC(=O)C1C2CCC(C2)C1N.
What is the InChIKey of 3-amino-N-carbamoylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is GCQLEBLEOJBESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-7-5-2-1-4(3-5)6(7)8(13)12-9(11)14/h4-7H,1-3,10H2,(H3,11,12,13,14).
What are the key properties of 3-amino-N-carbamoylbicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-carbamoylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 197.24 g/mol, XLogP of -0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-carbamoylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 79194327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).