N-[1-amino-2-(2-methylidenepyrrolidin-3-yl)ethyl]-4-methyl-1-propanoylpyrrolidine-2-carboxamide

C16H28N4O2 — CID 162682016

IUPACN-[1-amino-2-(2-methylidenepyrrolidin-3-yl)ethyl]-4-methyl-1-propanoylpyrrolidine-2-carboxamide
SMILESC=C1NCCC1CC(N)NC(=O)C1CC(C)CN1C(=O)CC
InChIInChI=1S/C16H28N4O2/c1-4-15(21)20-9-10(2)7-13(20)16(22)19-14(17)8-12-5-6-18-11(12)3/h10,12-14,18H,3-9,17H2,1-2H3,(H,19,22)
InChIKeyWKJXAVKQGGZQPN-UHFFFAOYSA-N
MW308.43 g/mol
LogP0.55
Rot. Bonds5

About N-[1-amino-2-(2-methylidenepyrrolidin-3-yl)ethyl]-4-methyl-1-propanoylpyrrolidine-2-carboxamide

N-[1-amino-2-(2-methylidenepyrrolidin-3-yl)ethyl]-4-methyl-1-propanoylpyrrolidine-2-carboxamide (PubChem CID 162682016) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[1-amino-2-(2-methylidenepyrrolidin-3-yl)ethyl]-4-methyl-1-propanoylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-amino-2-(2-methylidenepyrrolidin-3-yl)ethyl]-4-methyl-1-propanoylpyrrolidine-2-carboxamide
PubChem CID162682016
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC NameN-[1-amino-2-(2-methylidenepyrrolidin-3-yl)ethyl]-4-methyl-1-propanoylpyrrolidine-2-carboxamide
SMILESC=C1NCCC1CC(N)NC(=O)C1CC(C)CN1C(=O)CC
InChIInChI=1S/C16H28N4O2/c1-4-15(21)20-9-10(2)7-13(20)16(22)19-14(17)8-12-5-6-18-11(12)3/h10,12-14,18H,3-9,17H2,1-2H3,(H,19,22)
InChIKeyWKJXAVKQGGZQPN-UHFFFAOYSA-N
XLogP0.55
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[1-amino-2-(2-methylidenepyrrolidin-3-yl)ethyl]-4-methyl-1-propanoylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-2-(2-methylidenepyrrolidin-3-yl)ethyl]-4-methyl-1-propanoylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-amino-2-(2-methylidenepyrrolidin-3-yl)ethyl]-4-methyl-1-propanoylpyrrolidine-2-carboxamide (CID 162682016) is N-[1-amino-2-(2-methylidenepyrrolidin-3-yl)ethyl]-4-methyl-1-propanoylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-amino-2-(2-methylidenepyrrolidin-3-yl)ethyl]-4-methyl-1-propanoylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-amino-2-(2-methylidenepyrrolidin-3-yl)ethyl]-4-methyl-1-propanoylpyrrolidine-2-carboxamide is C=C1NCCC1CC(N)NC(=O)C1CC(C)CN1C(=O)CC.
What is the InChIKey of N-[1-amino-2-(2-methylidenepyrrolidin-3-yl)ethyl]-4-methyl-1-propanoylpyrrolidine-2-carboxamide?
The InChIKey is WKJXAVKQGGZQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-4-15(21)20-9-10(2)7-13(20)16(22)19-14(17)8-12-5-6-18-11(12)3/h10,12-14,18H,3-9,17H2,1-2H3,(H,19,22).
What are the key properties of N-[1-amino-2-(2-methylidenepyrrolidin-3-yl)ethyl]-4-methyl-1-propanoylpyrrolidine-2-carboxamide?
N-[1-amino-2-(2-methylidenepyrrolidin-3-yl)ethyl]-4-methyl-1-propanoylpyrrolidine-2-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-2-(2-methylidenepyrrolidin-3-yl)ethyl]-4-methyl-1-propanoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 162682016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).