3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide

C8H17N3O — CID 130557882

IUPAC3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(N)C1C
InChIInChI=1S/C8H17N3O/c1-3-10-8(12)11-5-4-7(9)6(11)2/h6-7H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyYJZRVMNRCODEII-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.14
Rot. Bonds1

About 3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide

3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide (PubChem CID 130557882) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide
PubChem CID130557882
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(N)C1C
InChIInChI=1S/C8H17N3O/c1-3-10-8(12)11-5-4-7(9)6(11)2/h6-7H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyYJZRVMNRCODEII-UHFFFAOYSA-N
XLogP0.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide?
The IUPAC name of 3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide (CID 130557882) is 3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide is CCNC(=O)N1CCC(N)C1C.
What is the InChIKey of 3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide?
The InChIKey is YJZRVMNRCODEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-3-10-8(12)11-5-4-7(9)6(11)2/h6-7H,3-5,9H2,1-2H3,(H,10,12).
What are the key properties of 3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide?
3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide has a molecular weight of 171.24 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-2-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 130557882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).