N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpyrrolidine-3-carboxamide

C13H23N3O2 — CID 79401380

IUPACN-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C13H23N3O2/c1-9-7-14-8-11(9)13(18)15-6-2-3-12(17)16-10-4-5-10/h9-11,14H,2-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyQDAVCSVCNNWWHM-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.02
Rot. Bonds6

About N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpyrrolidine-3-carboxamide

N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 79401380) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpyrrolidine-3-carboxamide
PubChem CID79401380
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCCCC(=O)NC1CC1
InChIInChI=1S/C13H23N3O2/c1-9-7-14-8-11(9)13(18)15-6-2-3-12(17)16-10-4-5-10/h9-11,14H,2-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyQDAVCSVCNNWWHM-UHFFFAOYSA-N
XLogP0.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpyrrolidine-3-carboxamide
CID 79400917
N-(4-amino-4-oxobutyl)-4-methylpyrrolidine-3-carboxamide
CID 63714298
N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide
CID 63715754
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
N-cyclopropyl-4-(methylcarbamoylamino)butanamide
CID 115582642
N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpiperidine-2-carboxamide
CID 114424240
N-[4-(cyclopropylamino)-4-oxobutyl]-4-hydroxypyrrolidine-2-carboxamide
CID 79401002
2-(aminomethyl)-N-[4-(cyclopropylamino)-4-oxobutyl]cyclopentane-1-carboxamide
CID 79401536
4-[(4-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63715319
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
4-methyl-N-(4-propylcyclohexyl)pyrrolidine-3-carboxamide
CID 63714005
N-cyclopropyl-4-[[2-(methylamino)acetyl]amino]butanamide
CID 79400929

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpyrrolidine-3-carboxamide (CID 79401380) is N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)NCCCC(=O)NC1CC1.
What is the InChIKey of N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is QDAVCSVCNNWWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9-7-14-8-11(9)13(18)15-6-2-3-12(17)16-10-4-5-10/h9-11,14H,2-8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpyrrolidine-3-carboxamide?
N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79401380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).