1-(2-amino-2-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide

C11H21N3O2 — CID 79805766

IUPAC1-(2-amino-2-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide
SMILESCCC(C)(N)C(=O)N1CCCC1C(=O)NC
InChIInChI=1S/C11H21N3O2/c1-4-11(2,12)10(16)14-7-5-6-8(14)9(15)13-3/h8H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyRQLRPLBOLGBRIN-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.15
Rot. Bonds3

About 1-(2-amino-2-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide

1-(2-amino-2-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 79805766) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(2-amino-2-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID79805766
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-(2-amino-2-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide
SMILESCCC(C)(N)C(=O)N1CCCC1C(=O)NC
InChIInChI=1S/C11H21N3O2/c1-4-11(2,12)10(16)14-7-5-6-8(14)9(15)13-3/h8H,4-7,12H2,1-3H3,(H,13,15)
InChIKeyRQLRPLBOLGBRIN-UHFFFAOYSA-N
XLogP-0.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-2-methylbutanoyl)-N-methylpiperidine-2-carboxamide
CID 79805407
1-(2,2-dimethyl-3-sulfanylpropanoyl)-N-methylpyrrolidine-2-carboxamide
CID 163963935
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-2-methylbutan-1-one
CID 79810919
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
1-[2-(aminomethyl)-2-ethylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 115432078
(2S)-1-(2-amino-2-methylpropanoyl)-N-butylpyrrolidine-2-carboxamide
CID 11658913
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916
methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 115606581
1-[2-(cyclopentylamino)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 60952576
1-[2-[bis(ethylamino)methylideneamino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 111117487
(2R)-1-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 78922595
1-(2-cyano-2-methylbutanoyl)pyrrolidine-2-carboxamide
CID 114291053

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-amino-2-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide (CID 79805766) is 1-(2-amino-2-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-amino-2-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-amino-2-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide is CCC(C)(N)C(=O)N1CCCC1C(=O)NC.
What is the InChIKey of 1-(2-amino-2-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is RQLRPLBOLGBRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-11(2,12)10(16)14-7-5-6-8(14)9(15)13-3/h8H,4-7,12H2,1-3H3,(H,13,15).
What are the key properties of 1-(2-amino-2-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide?
1-(2-amino-2-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 79805766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).