1-methyl-2-[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C13H20N4O3 — CID 82764931

IUPAC1-methyl-2-[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(Cc1cn[nH]c1)C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C13H20N4O3/c1-13(11(18)19)5-3-4-10(13)16-12(20)17(2)8-9-6-14-15-7-9/h6-7,10H,3-5,8H2,1-2H3,(H,14,15)(H,16,20)(H,18,19)
InChIKeyDGTSGDLYSQEEQG-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.19
Rot. Bonds4

About 1-methyl-2-[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

1-methyl-2-[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 82764931) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-methyl-2-[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID82764931
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name1-methyl-2-[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(Cc1cn[nH]c1)C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C13H20N4O3/c1-13(11(18)19)5-3-4-10(13)16-12(20)17(2)8-9-6-14-15-7-9/h6-7,10H,3-5,8H2,1-2H3,(H,14,15)(H,16,20)(H,18,19)
InChIKeyDGTSGDLYSQEEQG-UHFFFAOYSA-N
XLogP1.19
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 82764495
2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82764907
3-[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031256
2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82764928
2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82763992
2-[[(4-fluorophenyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82764528
cis-(1S,2R)-2-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114092383
1-methyl-2-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 82764929
2-[[ethyl(phenyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82764290
1-(aminomethyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide
CID 80599035
2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762437
1-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)cyclopentane-1-carboxylic acid
CID 82760430

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 82764931) is 1-methyl-2-[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CN(Cc1cn[nH]c1)C(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 1-methyl-2-[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is DGTSGDLYSQEEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-13(11(18)19)5-3-4-10(13)16-12(20)17(2)8-9-6-14-15-7-9/h6-7,10H,3-5,8H2,1-2H3,(H,14,15)(H,16,20)(H,18,19).
What are the key properties of 1-methyl-2-[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
1-methyl-2-[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82764931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).