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

C12H23N3O2 — CID 43650356

IUPAC1-(2-aminopentanoyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCCCC(N)C(=O)N1CCCC1C(=O)N(C)C
InChIInChI=1S/C12H23N3O2/c1-4-6-9(13)11(16)15-8-5-7-10(15)12(17)14(2)3/h9-10H,4-8,13H2,1-3H3
InChIKeyIXFYQSHRLOHOCU-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.19
Rot. Bonds4

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

1-(2-aminopentanoyl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 43650356) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(2-aminopentanoyl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-aminopentanoyl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID43650356
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-(2-aminopentanoyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCCCC(N)C(=O)N1CCCC1C(=O)N(C)C
InChIInChI=1S/C12H23N3O2/c1-4-6-9(13)11(16)15-8-5-7-10(15)12(17)14(2)3/h9-10H,4-8,13H2,1-3H3
InChIKeyIXFYQSHRLOHOCU-UHFFFAOYSA-N
XLogP0.19
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminopentanoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 119305878
1-[(2R)-2-aminopropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydrochloride
CID 119275596
[1-(2-aminopentanoyl)pyrrolidin-2-yl]boronic acid
CID 59336843
ethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate
CID 60700666
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-aminopentan-1-one
CID 102726243
2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 89401620
2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119261722
1-(2-aminohexanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 54870726
2-amino-1-(2-propan-2-ylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119326462
(2S)-1-[(2S)-2-amino-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid
CID 11218768
1-[2-(azetidin-3-yl)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 116674954
1-(2-amino-4-methoxybutanoyl)pyrrolidine-2-carboxamide
CID 62473351

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopentanoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-aminopentanoyl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 43650356) is 1-(2-aminopentanoyl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-aminopentanoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-aminopentanoyl)-N,N-dimethylpyrrolidine-2-carboxamide is CCCC(N)C(=O)N1CCCC1C(=O)N(C)C.
What is the InChIKey of 1-(2-aminopentanoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is IXFYQSHRLOHOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-6-9(13)11(16)15-8-5-7-10(15)12(17)14(2)3/h9-10H,4-8,13H2,1-3H3.
What are the key properties of 1-(2-aminopentanoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
1-(2-aminopentanoyl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopentanoyl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 43650356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).