2-[1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cyclohexyl]acetic acid

C13H23N3O5 — CID 106239741

IUPAC2-[1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cyclohexyl]acetic acid
SMILESNC(=O)COCCNC(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H23N3O5/c14-10(17)9-21-7-6-15-12(20)16-13(8-11(18)19)4-2-1-3-5-13/h1-9H2,(H2,14,17)(H,18,19)(H2,15,16,20)
InChIKeyYIMLRXXOVYEJIR-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.03
Rot. Bonds8

About 2-[1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cyclohexyl]acetic acid

2-[1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cyclohexyl]acetic acid (PubChem CID 106239741) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cyclohexyl]acetic acid
PubChem CID106239741
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name2-[1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cyclohexyl]acetic acid
SMILESNC(=O)COCCNC(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C13H23N3O5/c14-10(17)9-21-7-6-15-12(20)16-13(8-11(18)19)4-2-1-3-5-13/h1-9H2,(H2,14,17)(H,18,19)(H2,15,16,20)
InChIKeyYIMLRXXOVYEJIR-UHFFFAOYSA-N
XLogP-0.03
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 106239374
2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid
CID 64700433
1-[2-[2-(2-amino-2-oxoethoxy)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 106234720
1-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]cyclohexane-1-carboxamide
CID 106235064
2-[1-(2-methylsulfanylethylcarbamoylamino)cyclohexyl]acetic acid
CID 64701496
2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid
CID 64701993
2-[1-[3-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid
CID 64701811
1-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106239344
2-[1-(2-cyclopentylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700859
2-[1-(2-methylpropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702378
2-[1-[[2-(2-aminoethoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79846049
2-[1-[[2-(2-methoxyethoxy)acetyl]amino]cyclopentyl]acetic acid
CID 64673171

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cyclohexyl]acetic acid (CID 106239741) is 2-[1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cyclohexyl]acetic acid is NC(=O)COCCNC(=O)NC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cyclohexyl]acetic acid?
The InChIKey is YIMLRXXOVYEJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c14-10(17)9-21-7-6-15-12(20)16-13(8-11(18)19)4-2-1-3-5-13/h1-9H2,(H2,14,17)(H,18,19)(H2,15,16,20).
What are the key properties of 2-[1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cyclohexyl]acetic acid?
2-[1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cyclohexyl]acetic acid has a molecular weight of 301.34 g/mol, XLogP of -0.03, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 106239741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).