2-[1-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid

C14H25N3O4 — CID 65242994

IUPAC2-[1-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid
SMILESCCNC(=O)NC(=O)CN(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H25N3O4/c1-3-15-13(21)16-11(18)10-17(2)14(9-12(19)20)7-5-4-6-8-14/h3-10H2,1-2H3,(H,19,20)(H2,15,16,18,21)
InChIKeyPFQQXMNXTKJQBS-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.94
Rot. Bonds6

About 2-[1-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid

2-[1-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid (PubChem CID 65242994) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[1-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid
PubChem CID65242994
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[1-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid
SMILESCCNC(=O)NC(=O)CN(C)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H25N3O4/c1-3-15-13(21)16-11(18)10-17(2)14(9-12(19)20)7-5-4-6-8-14/h3-10H2,1-2H3,(H,19,20)(H2,15,16,18,21)
InChIKeyPFQQXMNXTKJQBS-UHFFFAOYSA-N
XLogP0.94
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[[3-(ethylamino)-3-oxopropyl]-methylamino]cyclohexyl]acetic acid
CID 65243197
2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N-ethylacetamide
CID 62008520
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[cyclohexyl(methyl)amino]-N-(ethylcarbamoyl)acetamide
CID 46800805
2-[cycloheptyl(methyl)amino]-N-(ethylcarbamoyl)acetamide
CID 16577824
2-[1-[2-ethoxyethyl(methyl)amino]cyclohexyl]acetic acid
CID 65243143
2-[1-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid
CID 65243385
2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid
CID 65242914
2-[1-[acetyl(methyl)amino]cyclohexyl]acetic acid
CID 65238588
2-[1-[(3-hydroxy-3-methylbutyl)-methylamino]cyclohexyl]acetic acid
CID 79354977
2-[1-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]cyclohexyl]acetic acid
CID 82888447
2-[1-[formyl(methyl)amino]cyclohexyl]acetic acid
CID 65242680

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid (CID 65242994) is 2-[1-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid is CCNC(=O)NC(=O)CN(C)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid?
The InChIKey is PFQQXMNXTKJQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-3-15-13(21)16-11(18)10-17(2)14(9-12(19)20)7-5-4-6-8-14/h3-10H2,1-2H3,(H,19,20)(H2,15,16,18,21).
What are the key properties of 2-[1-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid?
2-[1-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 65242994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).