2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid

C13H25N3O4 — CID 107437530

IUPAC2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid
SMILESCCCCN(CCCC)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C13H25N3O4/c1-3-5-7-15(8-6-4-2)13(20)16(9-11(14)17)10-12(18)19/h3-10H2,1-2H3,(H2,14,17)(H,18,19)
InChIKeyWLLYQBHFDKKUGJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.88
Rot. Bonds10

About 2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid (PubChem CID 107437530) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid
PubChem CID107437530
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid
SMILESCCCCN(CCCC)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C13H25N3O4/c1-3-5-7-15(8-6-4-2)13(20)16(9-11(14)17)10-12(18)19/h3-10H2,1-2H3,(H2,14,17)(H,18,19)
InChIKeyWLLYQBHFDKKUGJ-UHFFFAOYSA-N
XLogP0.88
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[Propyl-[2-[propyl-[2-(propylamino)acetyl]amino]acetyl]amino]acetic acid
CID 44291613
(((Methylamino)carbonyl)(2-(methylamino)-2-oxoethyl)amino)acetic acid
CID 373588
2-[[2-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetyl]amino]acetic acid
CID 61607322
2-[[2-[[Methyl(3,3,3-trifluoropropyl)carbamoyl]amino]acetyl]amino]acetic acid
CID 65537164
2-[[2-Oxo-2-(propylcarbamoylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258422
2-[[2-(Butylcarbamoylamino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263188
2-[[Methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263928
2-[[[2-(Methylamino)-2-oxoethyl]-propylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264189
2-[[(2-Amino-2-oxoethyl)-butylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264202
2-[[(2-Amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264203
2-[[2-Oxo-2-(propylamino)ethyl]carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265650
2-[[(2-Amino-2-oxoethyl)-propan-2-ylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265898

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid (CID 107437530) is 2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid is CCCCN(CCCC)C(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid?
The InChIKey is WLLYQBHFDKKUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-3-5-7-15(8-6-4-2)13(20)16(9-11(14)17)10-12(18)19/h3-10H2,1-2H3,(H2,14,17)(H,18,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid has a molecular weight of 287.36 g/mol, XLogP of 0.88, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 107437530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).