2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethoxy]acetic acid

C12H23N3O5 — CID 79464032

IUPAC2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethoxy]acetic acid
SMILESCCN(CC)C(=O)CN(C)C(=O)NCCOCC(=O)O
InChIInChI=1S/C12H23N3O5/c1-4-15(5-2)10(16)8-14(3)12(19)13-6-7-20-9-11(17)18/h4-9H2,1-3H3,(H,13,19)(H,17,18)
InChIKeyGNDBAICLGQQBEI-UHFFFAOYSA-N
MW289.33 g/mol
LogP-0.40
Rot. Bonds9

About 2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethoxy]acetic acid

2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethoxy]acetic acid (PubChem CID 79464032) has the molecular formula C12H23N3O5 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethoxy]acetic acid
PubChem CID79464032
Molecular FormulaC12H23N3O5
Molecular Weight289.33 g/mol
Exact Mass289.16
IUPAC Name2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethoxy]acetic acid
SMILESCCN(CC)C(=O)CN(C)C(=O)NCCOCC(=O)O
InChIInChI=1S/C12H23N3O5/c1-4-15(5-2)10(16)8-14(3)12(19)13-6-7-20-9-11(17)18/h4-9H2,1-3H3,(H,13,19)(H,17,18)
InChIKeyGNDBAICLGQQBEI-UHFFFAOYSA-N
XLogP-0.40
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79463361
2-[2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]ethoxy]acetic acid
CID 79463634
2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463536
2-[2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464132
2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463035
2-[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464216
2-[2-[[2-[acetyl(methyl)amino]acetyl]amino]ethoxy]acetic acid
CID 79457414
ethyl 2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetate
CID 60968980
3-[2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]ethoxy]propanoic acid
CID 112739272
3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxypropanoic acid
CID 66167159
2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid
CID 79463056
2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463348

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethoxy]acetic acid (CID 79464032) is 2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethoxy]acetic acid is CCN(CC)C(=O)CN(C)C(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethoxy]acetic acid?
The InChIKey is GNDBAICLGQQBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O5/c1-4-15(5-2)10(16)8-14(3)12(19)13-6-7-20-9-11(17)18/h4-9H2,1-3H3,(H,13,19)(H,17,18).
What are the key properties of 2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethoxy]acetic acid?
2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethoxy]acetic acid has a molecular weight of 289.33 g/mol, XLogP of -0.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79464032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).