N-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide

C9H19N3O — CID 83617629

IUPACN-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide
SMILESCC(C)(N)CNC(=O)C1CCNC1
InChIInChI=1S/C9H19N3O/c1-9(2,10)6-12-8(13)7-3-4-11-5-7/h7,11H,3-6,10H2,1-2H3,(H,12,13)
InChIKeyLIPFRENFCSPYAU-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.55
Rot. Bonds3

About N-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide

N-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide (PubChem CID 83617629) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide
PubChem CID83617629
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide
SMILESCC(C)(N)CNC(=O)C1CCNC1
InChIInChI=1S/C9H19N3O/c1-9(2,10)6-12-8(13)7-3-4-11-5-7/h7,11H,3-6,10H2,1-2H3,(H,12,13)
InChIKeyLIPFRENFCSPYAU-UHFFFAOYSA-N
XLogP-0.55
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide (CID 83617629) is N-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide is CC(C)(N)CNC(=O)C1CCNC1.
What is the InChIKey of N-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is LIPFRENFCSPYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-9(2,10)6-12-8(13)7-3-4-11-5-7/h7,11H,3-6,10H2,1-2H3,(H,12,13).
What are the key properties of N-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide?
N-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 185.27 g/mol, XLogP of -0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 83617629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).