2-[2-(octan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid

C13H24N2O5 — CID 61478499

IUPAC2-[2-(octan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
SMILESCCCCCCC(C)NC(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C13H24N2O5/c1-3-4-5-6-7-10(2)14-13(19)15-11(16)8-20-9-12(17)18/h10H,3-9H2,1-2H3,(H,17,18)(H2,14,15,16,19)
InChIKeySSZRKZMOGAAXOC-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.27
Rot. Bonds10

About 2-[2-(octan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid

2-[2-(octan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid (PubChem CID 61478499) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[2-(octan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(octan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
PubChem CID61478499
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name2-[2-(octan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
SMILESCCCCCCC(C)NC(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C13H24N2O5/c1-3-4-5-6-7-10(2)14-13(19)15-11(16)8-20-9-12(17)18/h10H,3-9H2,1-2H3,(H,17,18)(H2,14,15,16,19)
InChIKeySSZRKZMOGAAXOC-UHFFFAOYSA-N
XLogP1.27
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(octan-2-ylcarbamoylamino)-2-oxoethoxy]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-[2-(heptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 61465594
2-[2-(6-methylheptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 61470498
2-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethoxy]acetic acid
CID 61328669
2-[2-(4-methylsulfanylbutan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 113477618
5-(heptan-2-ylcarbamoylamino)hexanoic acid
CID 82848165
2-[2-oxo-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid
CID 61460963
N-dodecan-2-ylpropanamide
CID 174988669
1-ethyl-3-octan-2-ylurea
CID 56827686
1-ethyl-3-[(2S)-octan-2-yl]urea
CID 94866604
1-heptan-2-yl-3-propan-2-ylurea
CID 71899821
(2S)-3-methyl-2-(octan-2-ylcarbamoylamino)pentanoic acid
CID 61479063
3-methyl-2-(octan-2-ylcarbamoylamino)pentanoic acid
CID 61479062

Frequently Asked Questions

What is the IUPAC name of 2-[2-(octan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(octan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid (CID 61478499) is 2-[2-(octan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(octan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(octan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid is CCCCCCC(C)NC(=O)NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-(octan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid?
The InChIKey is SSZRKZMOGAAXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-3-4-5-6-7-10(2)14-13(19)15-11(16)8-20-9-12(17)18/h10H,3-9H2,1-2H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of 2-[2-(octan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid?
2-[2-(octan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid has a molecular weight of 288.34 g/mol, XLogP of 1.27, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(octan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61478499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).