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

C10H18N2O6 — CID 79463361

IUPAC2-[2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethoxy]acetic acid
SMILESCCOC(=O)CN(C)C(=O)NCCOCC(=O)O
InChIInChI=1S/C10H18N2O6/c1-3-18-9(15)6-12(2)10(16)11-4-5-17-7-8(13)14/h3-7H2,1-2H3,(H,11,16)(H,13,14)
InChIKeyKBBWEMQZSOBGGP-UHFFFAOYSA-N
MW262.26 g/mol
LogP-0.71
Rot. Bonds8

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

2-[2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethoxy]acetic acid (PubChem CID 79463361) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethoxy]acetic acid
PubChem CID79463361
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name2-[2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethoxy]acetic acid
SMILESCCOC(=O)CN(C)C(=O)NCCOCC(=O)O
InChIInChI=1S/C10H18N2O6/c1-3-18-9(15)6-12(2)10(16)11-4-5-17-7-8(13)14/h3-7H2,1-2H3,(H,11,16)(H,13,14)
InChIKeyKBBWEMQZSOBGGP-UHFFFAOYSA-N
XLogP-0.71
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464032
ethyl 2-[methyl(propylcarbamoyl)amino]acetate
CID 10241951
2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid
CID 115538733
2-[2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464132
2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463536
4-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 80541797
2-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid
CID 115431007
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
2-[2-[(3-ethoxy-3-oxopropyl)sulfonylamino]ethoxy]acetic acid
CID 79457741
2-[2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]ethoxy]acetic acid
CID 79463634
ethyl 2-[benzylcarbamoyl(methyl)amino]acetate
CID 10243836

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethoxy]acetic acid (CID 79463361) is 2-[2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethoxy]acetic acid is CCOC(=O)CN(C)C(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethoxy]acetic acid?
The InChIKey is KBBWEMQZSOBGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6/c1-3-18-9(15)6-12(2)10(16)11-4-5-17-7-8(13)14/h3-7H2,1-2H3,(H,11,16)(H,13,14).
What are the key properties of 2-[2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethoxy]acetic acid?
2-[2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethoxy]acetic acid has a molecular weight of 262.26 g/mol, XLogP of -0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79463361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).