3-[[2-(methoxycarbonylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

C11H18N2O5 — CID 63043525

IUPAC3-[[2-(methoxycarbonylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESCOC(=O)NC(=O)CNC1CCCC(C(=O)O)C1
InChIInChI=1S/C11H18N2O5/c1-18-11(17)13-9(14)6-12-8-4-2-3-7(5-8)10(15)16/h7-8,12H,2-6H2,1H3,(H,15,16)(H,13,14,17)
InChIKeyMFQAANKERBOPRY-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.10
Rot. Bonds4

About 3-[[2-(methoxycarbonylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

3-[[2-(methoxycarbonylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 63043525) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-[[2-(methoxycarbonylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(methoxycarbonylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
PubChem CID63043525
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name3-[[2-(methoxycarbonylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESCOC(=O)NC(=O)CNC1CCCC(C(=O)O)C1
InChIInChI=1S/C11H18N2O5/c1-18-11(17)13-9(14)6-12-8-4-2-3-7(5-8)10(15)16/h7-8,12H,2-6H2,1H3,(H,15,16)(H,13,14,17)
InChIKeyMFQAANKERBOPRY-UHFFFAOYSA-N
XLogP0.10
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 63042085
3-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 63043691
3-[[3-(methylamino)-3-oxopropyl]amino]cyclohexane-1-carboxylic acid
CID 63042782
3-(2-aminoethylamino)cyclohexane-1-carboxylic acid
CID 63652681
3-[[3-(methylcarbamoylamino)-3-oxopropyl]amino]cyclohexane-1-carboxylic acid
CID 63044076
3-[[2-(cyclopropylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031562
3-(hexylamino)cyclohexane-1-carboxylic acid
CID 63043531
3-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 63042624
3-(cyclobutylamino)cyclohexane-1-carboxylic acid
CID 65066192
3-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 63044263
3-[(3-amino-2-methyl-3-oxopropyl)amino]cyclohexane-1-carboxylic acid
CID 63042445
3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 63044439

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methoxycarbonylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[2-(methoxycarbonylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (CID 63043525) is 3-[[2-(methoxycarbonylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(methoxycarbonylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(methoxycarbonylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is COC(=O)NC(=O)CNC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[[2-(methoxycarbonylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is MFQAANKERBOPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-18-11(17)13-9(14)6-12-8-4-2-3-7(5-8)10(15)16/h7-8,12H,2-6H2,1H3,(H,15,16)(H,13,14,17).
What are the key properties of 3-[[2-(methoxycarbonylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
3-[[2-(methoxycarbonylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methoxycarbonylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63043525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).