1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid

C13H22N2O5 — CID 61498908

IUPAC1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCOC(=O)C(C)NC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H22N2O5/c1-3-20-10(16)9(2)14-12(19)15-13(11(17)18)7-5-4-6-8-13/h9H,3-8H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyIRAZMTBGBUHHEV-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.02
Rot. Bonds5

About 1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid

1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 61498908) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID61498908
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCOC(=O)C(C)NC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H22N2O5/c1-3-20-10(16)9(2)14-12(19)15-13(11(17)18)7-5-4-6-8-13/h9H,3-8H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyIRAZMTBGBUHHEV-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163444
1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 24699851
2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid
CID 79851456
1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186660
1-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 63842552
1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 61499207
1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163023
1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 103997635
1-(but-3-yn-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 114418397
1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 61198115
1-(pent-1-yn-3-ylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 106232145
1-(2-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 62103455

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 61498908) is 1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid is CCOC(=O)C(C)NC(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is IRAZMTBGBUHHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-3-20-10(16)9(2)14-12(19)15-13(11(17)18)7-5-4-6-8-13/h9H,3-8H2,1-2H3,(H,17,18)(H2,14,15,19).
What are the key properties of 1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid?
1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61498908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).