2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-(methylcarbamoyl)propanamide

C12H22N4O2 — CID 54967975

IUPAC2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NC1CCN2CCCC12
InChIInChI=1S/C12H22N4O2/c1-8(11(17)15-12(18)13-2)14-9-5-7-16-6-3-4-10(9)16/h8-10,14H,3-7H2,1-2H3,(H2,13,15,17,18)
InChIKeyFPFXRNPJEXKGFW-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.34
Rot. Bonds3

About 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-(methylcarbamoyl)propanamide

2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-(methylcarbamoyl)propanamide (PubChem CID 54967975) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-(methylcarbamoyl)propanamide
PubChem CID54967975
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)NC1CCN2CCCC12
InChIInChI=1S/C12H22N4O2/c1-8(11(17)15-12(18)13-2)14-9-5-7-16-6-3-4-10(9)16/h8-10,14H,3-7H2,1-2H3,(H2,13,15,17,18)
InChIKeyFPFXRNPJEXKGFW-UHFFFAOYSA-N
XLogP-0.34
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-(methylcarbamoyl)propanamide (CID 54967975) is 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)NC1CCN2CCCC12.
What is the InChIKey of 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-(methylcarbamoyl)propanamide?
The InChIKey is FPFXRNPJEXKGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-8(11(17)15-12(18)13-2)14-9-5-7-16-6-3-4-10(9)16/h8-10,14H,3-7H2,1-2H3,(H2,13,15,17,18).
What are the key properties of 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-(methylcarbamoyl)propanamide?
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-(methylcarbamoyl)propanamide has a molecular weight of 254.33 g/mol, XLogP of -0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 54967975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).