1-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid

C12H20N2O5 — CID 55002384

IUPAC1-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCOC(=O)CCN(C)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H20N2O5/c1-14(8-5-9(15)19-2)11(18)13-12(10(16)17)6-3-4-7-12/h3-8H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyXXNJIXIIZAOLHE-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.59
Rot. Bonds5

About 1-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid

1-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 55002384) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID55002384
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name1-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCOC(=O)CCN(C)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H20N2O5/c1-14(8-5-9(15)19-2)11(18)13-12(10(16)17)6-3-4-7-12/h3-8H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyXXNJIXIIZAOLHE-UHFFFAOYSA-N
XLogP0.59
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 55227355
1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61196038
1-[[methyl(pentyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61197210
1-[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]cyclopropane-1-carboxylic acid
CID 106917097
1-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 79379384
1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61299743
1-[[2-ethoxyethyl(methyl)carbamoyl]amino]cyclopropane-1-carboxylic acid
CID 81057648
1-[[2-(cyclopropylmethoxy)ethyl-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163350
1-[[methyl(2-methylpropyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81162794
1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61443760
1-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61443714
3-[methyl-[(1-methylcyclopentyl)carbamoyl]amino]propanoic acid
CID 64688064

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid (CID 55002384) is 1-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid is COC(=O)CCN(C)C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is XXNJIXIIZAOLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-14(8-5-9(15)19-2)11(18)13-12(10(16)17)6-3-4-7-12/h3-8H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 1-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid?
1-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 55002384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).