3-amino-1,5-dimethylpyrrolidine-3-carboxamide

C7H15N3O — CID 81468515

IUPAC3-amino-1,5-dimethylpyrrolidine-3-carboxamide
SMILESCC1CC(N)(C(N)=O)CN1C
InChIInChI=1S/C7H15N3O/c1-5-3-7(9,6(8)11)4-10(5)2/h5H,3-4,9H2,1-2H3,(H2,8,11)
InChIKeyKIXXLRMODLJKBV-UHFFFAOYSA-N
MW157.22 g/mol
LogP-1.11
Rot. Bonds1

About 3-amino-1,5-dimethylpyrrolidine-3-carboxamide

3-amino-1,5-dimethylpyrrolidine-3-carboxamide (PubChem CID 81468515) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-amino-1,5-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-amino-1,5-dimethylpyrrolidine-3-carboxamide
PubChem CID81468515
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name3-amino-1,5-dimethylpyrrolidine-3-carboxamide
SMILESCC1CC(N)(C(N)=O)CN1C
InChIInChI=1S/C7H15N3O/c1-5-3-7(9,6(8)11)4-10(5)2/h5H,3-4,9H2,1-2H3,(H2,8,11)
InChIKeyKIXXLRMODLJKBV-UHFFFAOYSA-N
XLogP-1.11
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,5-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 3-amino-1,5-dimethylpyrrolidine-3-carboxamide (CID 81468515) is 3-amino-1,5-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 3-amino-1,5-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 3-amino-1,5-dimethylpyrrolidine-3-carboxamide is CC1CC(N)(C(N)=O)CN1C.
What is the InChIKey of 3-amino-1,5-dimethylpyrrolidine-3-carboxamide?
The InChIKey is KIXXLRMODLJKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-5-3-7(9,6(8)11)4-10(5)2/h5H,3-4,9H2,1-2H3,(H2,8,11).
What are the key properties of 3-amino-1,5-dimethylpyrrolidine-3-carboxamide?
3-amino-1,5-dimethylpyrrolidine-3-carboxamide has a molecular weight of 157.22 g/mol, XLogP of -1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,5-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 81468515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).