2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid

C14H24N2O5 — CID 82763992

IUPAC2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCCOC(=O)CCN(C)C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C14H24N2O5/c1-4-21-11(17)7-9-16(3)13(20)15-10-6-5-8-14(10,2)12(18)19/h10H,4-9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyHNGMMAZICPBCGT-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.22
Rot. Bonds6

About 2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid

2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82763992) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82763992
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCCOC(=O)CCN(C)C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C14H24N2O5/c1-4-21-11(17)7-9-16(3)13(20)15-10-6-5-8-14(10,2)12(18)19/h10H,4-9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyHNGMMAZICPBCGT-UHFFFAOYSA-N
XLogP1.22
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82764907
2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82764928
1-methyl-2-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 82764929
2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 102995471
2-[[butan-2-yl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762437
2-(3-ethoxypropanoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82760761
1-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 82764495
2-(4-ethoxybutanoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82760687
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
1-methyl-2-[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 82764931
1-methyl-2-[[pentyl(propan-2-yl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 82764894
2-[[2-cyanoethyl(ethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82762365

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid (CID 82763992) is 2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid is CCOC(=O)CCN(C)C(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is HNGMMAZICPBCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-4-21-11(17)7-9-16(3)13(20)15-10-6-5-8-14(10,2)12(18)19/h10H,4-9H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82763992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).