N-(5-amino-5-oxopentyl)-3-propan-2-ylpyrrolidine-3-carboxamide

C13H25N3O2 — CID 114162039

IUPACN-(5-amino-5-oxopentyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NCCCCC(N)=O)CCNC1
InChIInChI=1S/C13H25N3O2/c1-10(2)13(6-8-15-9-13)12(18)16-7-4-3-5-11(14)17/h10,15H,3-9H2,1-2H3,(H2,14,17)(H,16,18)
InChIKeyVXXJFFKJZSCVTR-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.39
Rot. Bonds7

About N-(5-amino-5-oxopentyl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-(5-amino-5-oxopentyl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 114162039) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(5-amino-5-oxopentyl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-5-oxopentyl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID114162039
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(5-amino-5-oxopentyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NCCCCC(N)=O)CCNC1
InChIInChI=1S/C13H25N3O2/c1-10(2)13(6-8-15-9-13)12(18)16-7-4-3-5-11(14)17/h10,15H,3-9H2,1-2H3,(H2,14,17)(H,16,18)
InChIKeyVXXJFFKJZSCVTR-UHFFFAOYSA-N
XLogP0.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(5-amino-5-oxopentyl)-3-propan-2-ylpyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-[methyl(propan-2-yl)amino]propyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106047817
N-pent-3-ynyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981317
N-[2-[methyl(propan-2-yl)amino]ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980592
(2R)-5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107830415
5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980283
3-propan-2-ylpyrrolidine-3-carbohydrazide
CID 106980734
N-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980333
N-(4-amino-4-oxobutyl)-3-ethylpyrrolidine-3-carboxamide
CID 63139989
N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979565
N-(2-cyanopropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980594
3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 106979981
2-[[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 106980822

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-oxopentyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(5-amino-5-oxopentyl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 114162039) is N-(5-amino-5-oxopentyl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-amino-5-oxopentyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-amino-5-oxopentyl)-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)NCCCCC(N)=O)CCNC1.
What is the InChIKey of N-(5-amino-5-oxopentyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is VXXJFFKJZSCVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(2)13(6-8-15-9-13)12(18)16-7-4-3-5-11(14)17/h10,15H,3-9H2,1-2H3,(H2,14,17)(H,16,18).
What are the key properties of N-(5-amino-5-oxopentyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-(5-amino-5-oxopentyl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-oxopentyl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114162039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).