N-[4-(dimethylamino)-4-oxobutyl]pyrrolidine-2-carboxamide;hydrochloride

C11H22ClN3O2 — CID 119303011

IUPACN-[4-(dimethylamino)-4-oxobutyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCN(C)C(=O)CCCNC(=O)C1CCCN1.Cl
InChIInChI=1S/C11H21N3O2.ClH/c1-14(2)10(15)6-4-8-13-11(16)9-5-3-7-12-9;/h9,12H,3-8H2,1-2H3,(H,13,16);1H
InChIKeyWOIMFJFWSBXOSK-UHFFFAOYSA-N
MW263.77 g/mol
LogP0.14
Rot. Bonds5

About N-[4-(dimethylamino)-4-oxobutyl]pyrrolidine-2-carboxamide;hydrochloride

N-[4-(dimethylamino)-4-oxobutyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119303011) has the molecular formula C11H22ClN3O2 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[4-(dimethylamino)-4-oxobutyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(dimethylamino)-4-oxobutyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119303011
Molecular FormulaC11H22ClN3O2
Molecular Weight263.77 g/mol
Exact Mass263.14
IUPAC NameN-[4-(dimethylamino)-4-oxobutyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCN(C)C(=O)CCCNC(=O)C1CCCN1.Cl
InChIInChI=1S/C11H21N3O2.ClH/c1-14(2)10(15)6-4-8-13-11(16)9-5-3-7-12-9;/h9,12H,3-8H2,1-2H3,(H,13,16);1H
InChIKeyWOIMFJFWSBXOSK-UHFFFAOYSA-N
XLogP0.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(dimethylamino)-4-oxobutyl]pyrrolidine-2-carboxamide;hydrochloride 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

ethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride
CID 119290932
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
ethyl 4-(piperidine-2-carbonylamino)butanoate;hydrochloride
CID 119290922
(2R)-N-[2-(dimethylamino)-2-oxoethyl]piperidine-2-carboxamide;hydrochloride
CID 119689244
N,N-dimethyl-4-[(2-pyrrolidin-2-ylacetyl)amino]butanamide
CID 119748283
(2S)-N-[3-(dipropylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081502
ethyl 4-[[(2S)-piperidine-2-carbonyl]amino]butanoate
CID 103809125
methyl 4-(azepane-2-carbonylamino)butanoate
CID 64562876
N-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119318990
N-propylpyrrolidine-2-carboxamide
CID 4984185
N-[2-(dimethylcarbamoylamino)ethyl]piperidine-2-carboxamide
CID 83110133
N-(7-methyloctyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119263597

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-4-oxobutyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(dimethylamino)-4-oxobutyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119303011) is N-[4-(dimethylamino)-4-oxobutyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(dimethylamino)-4-oxobutyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(dimethylamino)-4-oxobutyl]pyrrolidine-2-carboxamide;hydrochloride is CN(C)C(=O)CCCNC(=O)C1CCCN1.Cl.
What is the InChIKey of N-[4-(dimethylamino)-4-oxobutyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is WOIMFJFWSBXOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2.ClH/c1-14(2)10(15)6-4-8-13-11(16)9-5-3-7-12-9;/h9,12H,3-8H2,1-2H3,(H,13,16);1H.
What are the key properties of N-[4-(dimethylamino)-4-oxobutyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[4-(dimethylamino)-4-oxobutyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-4-oxobutyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119303011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).