2-[2-(dibutylcarbamoylamino)-2-oxoethoxy]acetic acid

C13H24N2O5 — CID 61329439

IUPAC2-[2-(dibutylcarbamoylamino)-2-oxoethoxy]acetic acid
SMILESCCCCN(CCCC)C(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C13H24N2O5/c1-3-5-7-15(8-6-4-2)13(19)14-11(16)9-20-10-12(17)18/h3-10H2,1-2H3,(H,17,18)(H,14,16,19)
InChIKeyZCQPKGQJVUYXMD-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.23
Rot. Bonds10

About 2-[2-(dibutylcarbamoylamino)-2-oxoethoxy]acetic acid

2-[2-(dibutylcarbamoylamino)-2-oxoethoxy]acetic acid (PubChem CID 61329439) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[2-(dibutylcarbamoylamino)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(dibutylcarbamoylamino)-2-oxoethoxy]acetic acid
PubChem CID61329439
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name2-[2-(dibutylcarbamoylamino)-2-oxoethoxy]acetic acid
SMILESCCCCN(CCCC)C(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C13H24N2O5/c1-3-5-7-15(8-6-4-2)13(19)14-11(16)9-20-10-12(17)18/h3-10H2,1-2H3,(H,17,18)(H,14,16,19)
InChIKeyZCQPKGQJVUYXMD-UHFFFAOYSA-N
XLogP1.23
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(dibutylcarbamoylamino)-5-oxopentanoic acid
CID 28983456
2-[2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 55008818
2-[2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 61437723
2-[2-[bis(prop-2-enyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328855
2-[2-[[2-cyanopropyl(ethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 54988828
2-[2-(heptan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 61465594
2-[2-[[2-cyanoethyl(methyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 61328470
2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid
CID 79463056
2-[2-(octan-2-ylcarbamoylamino)-2-oxoethoxy]acetic acid
CID 61478499
CID 177477585
CID 177477585
2-(carboxymethoxy)acetic acid;N,N-dibutylaniline
CID 160531229
2-[2-[methyl(pentyl)amino]-2-oxoethoxy]acetic acid
CID 61328408

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dibutylcarbamoylamino)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(dibutylcarbamoylamino)-2-oxoethoxy]acetic acid (CID 61329439) is 2-[2-(dibutylcarbamoylamino)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(dibutylcarbamoylamino)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(dibutylcarbamoylamino)-2-oxoethoxy]acetic acid is CCCCN(CCCC)C(=O)NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-(dibutylcarbamoylamino)-2-oxoethoxy]acetic acid?
The InChIKey is ZCQPKGQJVUYXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-3-5-7-15(8-6-4-2)13(19)14-11(16)9-20-10-12(17)18/h3-10H2,1-2H3,(H,17,18)(H,14,16,19).
What are the key properties of 2-[2-(dibutylcarbamoylamino)-2-oxoethoxy]acetic acid?
2-[2-(dibutylcarbamoylamino)-2-oxoethoxy]acetic acid has a molecular weight of 288.34 g/mol, XLogP of 1.23, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dibutylcarbamoylamino)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61329439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).