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

C12H21N3O2 — CID 79400917

IUPACN-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C12H21N3O2/c1-8-6-13-7-10(8)12(17)14-5-4-11(16)15-9-2-3-9/h8-10,13H,2-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyISJZQWHCXHMJPP-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.37
Rot. Bonds5

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

N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 79400917) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpyrrolidine-3-carboxamide
PubChem CID79400917
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCCC(=O)NC1CC1
InChIInChI=1S/C12H21N3O2/c1-8-6-13-7-10(8)12(17)14-5-4-11(16)15-9-2-3-9/h8-10,13H,2-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyISJZQWHCXHMJPP-UHFFFAOYSA-N
XLogP-0.37
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclopropylamino)-4-oxobutyl]-4-methylpyrrolidine-3-carboxamide
CID 79401380
N-(4-amino-4-oxobutyl)-4-methylpyrrolidine-3-carboxamide
CID 63714298
N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide
CID 63715754
4-[(4-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63715319
4-methyl-N-(4-propylcyclohexyl)pyrrolidine-3-carboxamide
CID 63714005
4-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide
CID 63959724
2-(azetidin-3-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
CID 116678382
4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 115747522
(3S,4S)-N-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxamide
CID 114084930
N-(1-ethylpiperidin-4-yl)-4-methylpyrrolidine-3-carboxamide
CID 63715986
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 79395809
tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate
CID 24688554

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpyrrolidine-3-carboxamide (CID 79400917) is N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)NCCC(=O)NC1CC1.
What is the InChIKey of N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is ISJZQWHCXHMJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8-6-13-7-10(8)12(17)14-5-4-11(16)15-9-2-3-9/h8-10,13H,2-7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpyrrolidine-3-carboxamide?
N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79400917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).