N-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide

C11H21N3O2 — CID 79202407

IUPACN-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide
SMILESCNCC(C)C(=O)N1CCCC1C(=O)NC
InChIInChI=1S/C11H21N3O2/c1-8(7-12-2)11(16)14-6-4-5-9(14)10(15)13-3/h8-9,12H,4-7H2,1-3H3,(H,13,15)
InChIKeyOOULYSQQAUYGRS-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.42
Rot. Bonds4

About N-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide

N-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide (PubChem CID 79202407) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide
PubChem CID79202407
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide
SMILESCNCC(C)C(=O)N1CCCC1C(=O)NC
InChIInChI=1S/C11H21N3O2/c1-8(7-12-2)11(16)14-6-4-5-9(14)10(15)13-3/h8-9,12H,4-7H2,1-3H3,(H,13,15)
InChIKeyOOULYSQQAUYGRS-UHFFFAOYSA-N
XLogP-0.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide
CID 79202503
methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate
CID 79202285
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 107217986
2-methyl-3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 114897714
1-(2,2-difluoroacetyl)-N-methylpyrrolidine-2-carboxamide
CID 103515226
N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide
CID 107026107
1-[2-(aminomethyl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 120606534
1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide
CID 60949285
1-(2,4-diamino-4-oxobutanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60954201
(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 58492264
2-methyl-3-(methylamino)-1-(2-methylazepan-1-yl)propan-1-one;hydrochloride
CID 119785159
1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide
CID 79013406

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide (CID 79202407) is N-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide is CNCC(C)C(=O)N1CCCC1C(=O)NC.
What is the InChIKey of N-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide?
The InChIKey is OOULYSQQAUYGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(7-12-2)11(16)14-6-4-5-9(14)10(15)13-3/h8-9,12H,4-7H2,1-3H3,(H,13,15).
What are the key properties of N-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide?
N-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 79202407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).