1-(2-aminopentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide

C12H23N3O2 — CID 106318225

IUPAC1-(2-aminopentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCCCC(N)C(=O)N1CCC(C)(C(=O)NC)C1
InChIInChI=1S/C12H23N3O2/c1-4-5-9(13)10(16)15-7-6-12(2,8-15)11(17)14-3/h9H,4-8,13H2,1-3H3,(H,14,17)
InChIKeyKRYITWBYSSPOBC-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.10
Rot. Bonds4

About 1-(2-aminopentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(2-aminopentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106318225) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(2-aminopentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-aminopentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106318225
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-(2-aminopentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCCCC(N)C(=O)N1CCC(C)(C(=O)NC)C1
InChIInChI=1S/C12H23N3O2/c1-4-5-9(13)10(16)15-7-6-12(2,8-15)11(17)14-3/h9H,4-8,13H2,1-3H3,(H,14,17)
InChIKeyKRYITWBYSSPOBC-UHFFFAOYSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-5-methoxypentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318300
1-(2-aminopropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318154
1-(2-aminoacetyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318155
1-(3-chloro-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317997
3-N,3-dimethyl-1-N-propylpyrrolidine-1,3-dicarboxamide
CID 106103750
1-[2-amino-2-(4-methylphenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318151
2-amino-1-(3,3,4-trimethylpiperazin-1-yl)pentan-1-one
CID 63634228
2-amino-1-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 119329695
1-(2-hydroxy-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318601
(2R)-2-amino-1-(2,2-dimethylthiomorpholin-4-yl)pentan-1-one
CID 103797336
2-amino-1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)pentan-1-one
CID 86784353
1-[2-(N'-hydroxycarbamimidoyl)-3-methylbutanoyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321120

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-aminopentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106318225) is 1-(2-aminopentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-aminopentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-aminopentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide is CCCC(N)C(=O)N1CCC(C)(C(=O)NC)C1.
What is the InChIKey of 1-(2-aminopentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is KRYITWBYSSPOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-5-9(13)10(16)15-7-6-12(2,8-15)11(17)14-3/h9H,4-8,13H2,1-3H3,(H,14,17).
What are the key properties of 1-(2-aminopentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(2-aminopentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106318225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).