4-aminopyrrolidine-2-carboxamide

C5H11N3O — CID 54213841

IUPAC4-aminopyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(N)CN1
InChIInChI=1S/C5H11N3O/c6-3-1-4(5(7)9)8-2-3/h3-4,8H,1-2,6H2,(H2,7,9)
InChIKeyCTUKFYWXYDCLIT-UHFFFAOYSA-N
MW129.16 g/mol
LogP-1.84
Rot. Bonds1

About 4-aminopyrrolidine-2-carboxamide

4-aminopyrrolidine-2-carboxamide (PubChem CID 54213841) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 4-aminopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-aminopyrrolidine-2-carboxamide
PubChem CID54213841
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name4-aminopyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(N)CN1
InChIInChI=1S/C5H11N3O/c6-3-1-4(5(7)9)8-2-3/h3-4,8H,1-2,6H2,(H2,7,9)
InChIKeyCTUKFYWXYDCLIT-UHFFFAOYSA-N
XLogP-1.84
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-aminopyrrolidine-2-carboxamide?
The IUPAC name of 4-aminopyrrolidine-2-carboxamide (CID 54213841) is 4-aminopyrrolidine-2-carboxamide.
What is the SMILES notation for 4-aminopyrrolidine-2-carboxamide?
The canonical SMILES for 4-aminopyrrolidine-2-carboxamide is NC(=O)C1CC(N)CN1.
What is the InChIKey of 4-aminopyrrolidine-2-carboxamide?
The InChIKey is CTUKFYWXYDCLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c6-3-1-4(5(7)9)8-2-3/h3-4,8H,1-2,6H2,(H2,7,9).
What are the key properties of 4-aminopyrrolidine-2-carboxamide?
4-aminopyrrolidine-2-carboxamide has a molecular weight of 129.16 g/mol, XLogP of -1.84, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopyrrolidine-2-carboxamide is sourced from PubChem (CID 54213841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).