1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid

C13H22N2O5 — CID 61299743

IUPAC1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid
SMILESCOC(=O)CCNC(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C13H22N2O5/c1-20-10(16)6-9-14-12(19)15-13(11(17)18)7-4-2-3-5-8-13/h2-9H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyWWPUXBIOMDSRHC-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.03
Rot. Bonds5

About 1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid

1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid (PubChem CID 61299743) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid
PubChem CID61299743
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid
SMILESCOC(=O)CCNC(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C13H22N2O5/c1-20-10(16)6-9-14-12(19)15-13(11(17)18)7-4-2-3-5-8-13/h2-9H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeyWWPUXBIOMDSRHC-UHFFFAOYSA-N
XLogP1.03
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 103995625
1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 29006529
1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61402688
1-(2-pyrrolidin-1-ylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 62634646
1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 29006531
1-(5-methoxypentylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 114131676
1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 62635853
1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 62849750
1-(2-sulfamoylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 61203572
1-(2-cyclobutylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113364347
1-(2-cyclopentyloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63832820
1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 106239374

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid (CID 61299743) is 1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid is COC(=O)CCNC(=O)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid?
The InChIKey is WWPUXBIOMDSRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-20-10(16)6-9-14-12(19)15-13(11(17)18)7-4-2-3-5-8-13/h2-9H2,1H3,(H,17,18)(H2,14,15,19).
What are the key properties of 1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid?
1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 61299743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).