2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid

C13H22N2O3 — CID 54945026

IUPAC2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid
SMILESO=C(O)CN(CC(=O)NC1CCCCC1)C1CC1
InChIInChI=1S/C13H22N2O3/c16-12(14-10-4-2-1-3-5-10)8-15(9-13(17)18)11-6-7-11/h10-11H,1-9H2,(H,14,16)(H,17,18)
InChIKeyWNPIWBFMESUBBN-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.98
Rot. Bonds6

About 2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid

2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid (PubChem CID 54945026) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid
PubChem CID54945026
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid
SMILESO=C(O)CN(CC(=O)NC1CCCCC1)C1CC1
InChIInChI=1S/C13H22N2O3/c16-12(14-10-4-2-1-3-5-10)8-15(9-13(17)18)11-6-7-11/h10-11H,1-9H2,(H,14,16)(H,17,18)
InChIKeyWNPIWBFMESUBBN-UHFFFAOYSA-N
XLogP0.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(cyclopropyl)amino]-N-cycloheptylacetamide
CID 62548939
2-[cyclohexyl(2-hydroxyethyl)amino]-N-cyclopentylacetamide
CID 60694014
2-[3-aminopropyl(cyclopropyl)amino]-N-cyclohexylacetamide
CID 43137540
2-[2-aminoethyl(cyclobutyl)amino]-N-cycloheptylacetamide
CID 102875096
2-[3-aminopropyl(cyclohexyl)amino]-N-cyclopentylacetamide
CID 43319655
3-[carboxymethyl-[2-(cyclopentylamino)-2-oxoethyl]amino]propanoic acid
CID 82327406
3-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 60840718
N-cyclohexyl-2-[cyclopropyl(piperidin-3-ylmethyl)amino]acetamide
CID 106639591
2-[cyclopentylcarbamoyl(cyclopropyl)amino]acetic acid
CID 61187386
2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetic acid
CID 60833171
3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544
2-[3-aminopropyl(cyclopentyl)amino]-N-cyclopentylacetamide
CID 43319618

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid?
The IUPAC name of 2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid (CID 54945026) is 2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid is O=C(O)CN(CC(=O)NC1CCCCC1)C1CC1.
What is the InChIKey of 2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid?
The InChIKey is WNPIWBFMESUBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12(14-10-4-2-1-3-5-10)8-15(9-13(17)18)11-6-7-11/h10-11H,1-9H2,(H,14,16)(H,17,18).
What are the key properties of 2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid?
2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclohexylamino)-2-oxoethyl]-cyclopropylamino]acetic acid is sourced from PubChem (CID 54945026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).