2-[[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid

C15H27N3O3 — CID 81463935

IUPAC2-[[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCC1CN(C(=O)NCC2CCCC2C(=O)O)CC1N(C)C
InChIInChI=1S/C15H27N3O3/c1-10-8-18(9-13(10)17(2)3)15(21)16-7-11-5-4-6-12(11)14(19)20/h10-13H,4-9H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyBQTFPAZDUJOEKN-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.08
Rot. Bonds4

About 2-[[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid

2-[[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 81463935) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID81463935
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCC1CN(C(=O)NCC2CCCC2C(=O)O)CC1N(C)C
InChIInChI=1S/C15H27N3O3/c1-10-8-18(9-13(10)17(2)3)15(21)16-7-11-5-4-6-12(11)14(19)20/h10-13H,4-9H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyBQTFPAZDUJOEKN-UHFFFAOYSA-N
XLogP1.08
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3,4-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 79181775
2-[[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81116282
4-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]butanoic acid
CID 81475356
2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 107228315
3-(dimethylamino)-N,4-dimethylpyrrolidine-1-carboxamide
CID 115690689
2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 83220052
2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107405688
(2-aminocyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81464588
2-[[(3,5-dioxopiperazine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 66062412
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoacetic acid
CID 81474906
2-[1-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 81475038
2-[[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 66477997

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 81463935) is 2-[[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid is CC1CN(C(=O)NCC2CCCC2C(=O)O)CC1N(C)C.
What is the InChIKey of 2-[[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is BQTFPAZDUJOEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-10-8-18(9-13(10)17(2)3)15(21)16-7-11-5-4-6-12(11)14(19)20/h10-13H,4-9H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 2-[[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid?
2-[[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81463935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).