2-[[2-(2-ethylhexylcarbamoylamino)acetyl]amino]acetic acid

C13H25N3O4 — CID 107817392

IUPAC2-[[2-(2-ethylhexylcarbamoylamino)acetyl]amino]acetic acid
SMILESCCCCC(CC)CNC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C13H25N3O4/c1-3-5-6-10(4-2)7-15-13(20)16-8-11(17)14-9-12(18)19/h10H,3-9H2,1-2H3,(H,14,17)(H,18,19)(H2,15,16,20)
InChIKeyXTTPKUOTUWRADJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.70
Rot. Bonds10

About 2-[[2-(2-ethylhexylcarbamoylamino)acetyl]amino]acetic acid

2-[[2-(2-ethylhexylcarbamoylamino)acetyl]amino]acetic acid (PubChem CID 107817392) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[2-(2-ethylhexylcarbamoylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-ethylhexylcarbamoylamino)acetyl]amino]acetic acid
PubChem CID107817392
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name2-[[2-(2-ethylhexylcarbamoylamino)acetyl]amino]acetic acid
SMILESCCCCC(CC)CNC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C13H25N3O4/c1-3-5-6-10(4-2)7-15-13(20)16-8-11(17)14-9-12(18)19/h10H,3-9H2,1-2H3,(H,14,17)(H,18,19)(H2,15,16,20)
InChIKeyXTTPKUOTUWRADJ-UHFFFAOYSA-N
XLogP0.70
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylhexylcarbamoylamino)-2-methylpropanoic acid
CID 107817398
3-(2-ethylhexylcarbamoylamino)pentanoic acid
CID 114004348
1-[(2R)-2-ethylhexyl]-3-prop-2-ynylurea
CID 97027505
5-(2-ethylhexylamino)-5-oxopentanoic acid
CID 4181990
3-(2-ethylhexylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 107817453
3-(2-ethylhexylcarbamoylamino)-2-methoxypropanoic acid
CID 106110667
1-(2-ethylhexyl)-3-propan-2-ylurea
CID 78858171
2-[(2-ethylhexylcarbamoylamino)methyl]-4-methylpentanoic acid
CID 107817347
(2R)-2-(2-ethylhexylcarbamoylamino)pentanoic acid
CID 107817439
2-[[2-(2,3-dimethylbutylcarbamoylamino)acetyl]amino]acetic acid
CID 64598626
5-(2-ethylhexylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 55155767
2-(cyclopropylamino)-N-(2-ethylhexyl)acetamide
CID 54773137

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-ethylhexylcarbamoylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2-ethylhexylcarbamoylamino)acetyl]amino]acetic acid (CID 107817392) is 2-[[2-(2-ethylhexylcarbamoylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-ethylhexylcarbamoylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2-ethylhexylcarbamoylamino)acetyl]amino]acetic acid is CCCCC(CC)CNC(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-(2-ethylhexylcarbamoylamino)acetyl]amino]acetic acid?
The InChIKey is XTTPKUOTUWRADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-3-5-6-10(4-2)7-15-13(20)16-8-11(17)14-9-12(18)19/h10H,3-9H2,1-2H3,(H,14,17)(H,18,19)(H2,15,16,20).
What are the key properties of 2-[[2-(2-ethylhexylcarbamoylamino)acetyl]amino]acetic acid?
2-[[2-(2-ethylhexylcarbamoylamino)acetyl]amino]acetic acid has a molecular weight of 287.36 g/mol, XLogP of 0.70, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-ethylhexylcarbamoylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 107817392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).