2-[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]ethoxy]acetic acid

C10H20N2O6 — CID 79464216

IUPAC2-[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]ethoxy]acetic acid
SMILESCOCC(O)CN(C)C(=O)NCCOCC(=O)O
InChIInChI=1S/C10H20N2O6/c1-12(5-8(13)6-17-2)10(16)11-3-4-18-7-9(14)15/h8,13H,3-7H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyDNTVGROTOUMBKW-UHFFFAOYSA-N
MW264.28 g/mol
LogP-1.26
Rot. Bonds9

About 2-[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]ethoxy]acetic acid

2-[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]ethoxy]acetic acid (PubChem CID 79464216) has the molecular formula C10H20N2O6 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]ethoxy]acetic acid
PubChem CID79464216
Molecular FormulaC10H20N2O6
Molecular Weight264.28 g/mol
Exact Mass264.13
IUPAC Name2-[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]ethoxy]acetic acid
SMILESCOCC(O)CN(C)C(=O)NCCOCC(=O)O
InChIInChI=1S/C10H20N2O6/c1-12(5-8(13)6-17-2)10(16)11-3-4-18-7-9(14)15/h8,13H,3-7H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyDNTVGROTOUMBKW-UHFFFAOYSA-N
XLogP-1.26
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
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-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463536
2-[[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid
CID 54999225
2-[2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464132
2-[2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79463361
2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464032
2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 79800977
2-[2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463155
1-[(2R)-2-hydroxy-3-methoxypropyl]-1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 95133816
2-[2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463348
3-(2-methoxyethyl)-1-methyl-1-[(2R)-2-methylbutyl]urea
CID 97025387
2-[2-[[2-[acetyl(methyl)amino]acetyl]amino]ethoxy]acetic acid
CID 79457414
2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-5-methoxypentanoic acid
CID 81085623

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]ethoxy]acetic acid (CID 79464216) is 2-[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]ethoxy]acetic acid is COCC(O)CN(C)C(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]ethoxy]acetic acid?
The InChIKey is DNTVGROTOUMBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O6/c1-12(5-8(13)6-17-2)10(16)11-3-4-18-7-9(14)15/h8,13H,3-7H2,1-2H3,(H,11,16)(H,14,15).
What are the key properties of 2-[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]ethoxy]acetic acid?
2-[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]ethoxy]acetic acid has a molecular weight of 264.28 g/mol, XLogP of -1.26, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79464216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).