1-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid

C11H19N3O5 — CID 106239344

IUPAC1-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
SMILESNC(=O)COCCNC(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C11H19N3O5/c12-8(15)6-19-5-4-13-10(18)14-7-11(9(16)17)2-1-3-11/h1-7H2,(H2,12,15)(H,16,17)(H2,13,14,18)
InChIKeyDUIUTEJDHXQBKY-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.96
Rot. Bonds8

About 1-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid

1-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 106239344) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
PubChem CID106239344
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name1-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
SMILESNC(=O)COCCNC(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C11H19N3O5/c12-8(15)6-19-5-4-13-10(18)14-7-11(9(16)17)2-1-3-11/h1-7H2,(H2,12,15)(H,16,17)(H2,13,14,18)
InChIKeyDUIUTEJDHXQBKY-UHFFFAOYSA-N
XLogP-0.96
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.96
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-(2-amino-2-oxoethoxy)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 106234720
1-[(2-butoxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 113312514
1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 106239374
1-[[(3-amino-3-oxopropyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451266
1-[(3-ethoxypropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433979
1-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]cyclohexane-1-carboxamide
CID 106235064
1-[[(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 53397452
2-[1-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]cyclohexyl]acetic acid
CID 106239741
1-[(4-propan-2-yloxybutylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 106004382
1-[(pentylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444674
2-[2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]ethoxy]acetic acid
CID 114117097
1-[(2-cyclohexyloxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451664

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid (CID 106239344) is 1-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid is NC(=O)COCCNC(=O)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is DUIUTEJDHXQBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c12-8(15)6-19-5-4-13-10(18)14-7-11(9(16)17)2-1-3-11/h1-7H2,(H2,12,15)(H,16,17)(H2,13,14,18).
What are the key properties of 1-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
1-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of -0.96, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 106239344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).