2-[2-[2-(hydroxymethoxy)ethoxy]ethyl-(2-oxopropyl)amino]acetic acid

C10H19NO6 — CID 20692343

IUPAC2-[2-[2-(hydroxymethoxy)ethoxy]ethyl-(2-oxopropyl)amino]acetic acid
SMILESCC(=O)CN(CCOCCOCO)CC(=O)O
InChIInChI=1S/C10H19NO6/c1-9(13)6-11(7-10(14)15)2-3-16-4-5-17-8-12/h12H,2-8H2,1H3,(H,14,15)
InChIKeyBZSCLMRQDQHKHW-UHFFFAOYSA-N
MW249.26 g/mol
LogP-1.05
Rot. Bonds11

About 2-[2-[2-(hydroxymethoxy)ethoxy]ethyl-(2-oxopropyl)amino]acetic acid

2-[2-[2-(hydroxymethoxy)ethoxy]ethyl-(2-oxopropyl)amino]acetic acid (PubChem CID 20692343) has the molecular formula C10H19NO6 and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-[2-[2-(hydroxymethoxy)ethoxy]ethyl-(2-oxopropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(hydroxymethoxy)ethoxy]ethyl-(2-oxopropyl)amino]acetic acid
PubChem CID20692343
Molecular FormulaC10H19NO6
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Name2-[2-[2-(hydroxymethoxy)ethoxy]ethyl-(2-oxopropyl)amino]acetic acid
SMILESCC(=O)CN(CCOCCOCO)CC(=O)O
InChIInChI=1S/C10H19NO6/c1-9(13)6-11(7-10(14)15)2-3-16-4-5-17-8-12/h12H,2-8H2,1H3,(H,14,15)
InChIKeyBZSCLMRQDQHKHW-UHFFFAOYSA-N
XLogP-1.05
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid;bis(2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid);ethene
CID 173205461
acetic acid;O-[2-(2-aminooxyethoxy)ethyl]hydroxylamine;2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
CID 173046052
CID 131887709
CID 131887709
1-[2-[2-[2-[bis(3-methyl-2-oxobutyl)amino]ethoxy]ethoxy]ethyl-(2-oxopropyl)amino]-3-methylbutan-2-one
CID 146611862
sodium;2-[2-[bis(2-oxopropyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron(2+)
CID 25052150
2-[2-[2-[2-[bis(2-nitroso-2-oxoethyl)amino]ethoxy]ethoxy]ethyl-(2-nitroso-2-oxoethyl)amino]acetic acid
CID 134447270
2-[2-[2-[2-[bis(2-oxoethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
CID 145210953
1-[2-ethoxyethyl(2-hydroxyethyl)amino]propan-2-one
CID 145348715
carbanide;2-[carboxymethyl-[2-[2-[2-(2-methylbutoxy)ethoxy]ethoxy]ethyl]amino]acetic acid;copper
CID 22956668
2-[carboxymethyl-[2-[2-[2-(2-methylpropylamino)ethoxy]ethoxy]ethyl]amino]acetic acid
CID 177180720
2-[2-[2-[2-[carboxymethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]ethoxy]ethoxy]ethyl-[2-(2-methylpropylamino)-2-oxoethyl]amino]acetic acid
CID 102241734
2-[ethyl-[2-[ethyl(2-oxopropyl)amino]ethyl]amino]acetic acid
CID 134601961

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(hydroxymethoxy)ethoxy]ethyl-(2-oxopropyl)amino]acetic acid?
The IUPAC name of 2-[2-[2-(hydroxymethoxy)ethoxy]ethyl-(2-oxopropyl)amino]acetic acid (CID 20692343) is 2-[2-[2-(hydroxymethoxy)ethoxy]ethyl-(2-oxopropyl)amino]acetic acid.
What is the SMILES notation for 2-[2-[2-(hydroxymethoxy)ethoxy]ethyl-(2-oxopropyl)amino]acetic acid?
The canonical SMILES for 2-[2-[2-(hydroxymethoxy)ethoxy]ethyl-(2-oxopropyl)amino]acetic acid is CC(=O)CN(CCOCCOCO)CC(=O)O.
What is the InChIKey of 2-[2-[2-(hydroxymethoxy)ethoxy]ethyl-(2-oxopropyl)amino]acetic acid?
The InChIKey is BZSCLMRQDQHKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6/c1-9(13)6-11(7-10(14)15)2-3-16-4-5-17-8-12/h12H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-[2-[2-(hydroxymethoxy)ethoxy]ethyl-(2-oxopropyl)amino]acetic acid?
2-[2-[2-(hydroxymethoxy)ethoxy]ethyl-(2-oxopropyl)amino]acetic acid has a molecular weight of 249.26 g/mol, XLogP of -1.05, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(hydroxymethoxy)ethoxy]ethyl-(2-oxopropyl)amino]acetic acid is sourced from PubChem (CID 20692343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).