2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid

C14H27N3O3 — CID 82764928

IUPAC2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCN(C)CCCN(C)C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-14(12(18)19)8-5-7-11(14)15-13(20)17(4)10-6-9-16(2)3/h11H,5-10H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyFKJQMWMPDMWKLU-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.22
Rot. Bonds6

About 2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid

2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82764928) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82764928
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCN(C)CCCN(C)C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-14(12(18)19)8-5-7-11(14)15-13(20)17(4)10-6-9-16(2)3/h11H,5-10H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyFKJQMWMPDMWKLU-UHFFFAOYSA-N
XLogP1.22
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 102995471
2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82764907
2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82763992
1-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 82764495
1-methyl-2-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 82764929
1-methyl-2-[[pentyl(propan-2-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 82764894
2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762437
1-methyl-2-[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 82764931
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
2-[[2-cyanoethyl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762365
1-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 55227355
2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764534

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid (CID 82764928) is 2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid is CN(C)CCCN(C)C(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is FKJQMWMPDMWKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-14(12(18)19)8-5-7-11(14)15-13(20)17(4)10-6-9-16(2)3/h11H,5-10H2,1-4H3,(H,15,20)(H,18,19).
What are the key properties of 2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 285.39 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82764928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).