2-[carboxymethyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetic acid

C11H18N2O6 — CID 63646322

IUPAC2-[carboxymethyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC(=O)NCC1CCCO1
InChIInChI=1S/C11H18N2O6/c14-9(12-4-8-2-1-3-19-8)5-13(6-10(15)16)7-11(17)18/h8H,1-7H2,(H,12,14)(H,15,16)(H,17,18)
InChIKeyZTMGNQRMQANKRO-UHFFFAOYSA-N
MW274.27 g/mol
LogP-1.25
Rot. Bonds8

About 2-[carboxymethyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetic acid

2-[carboxymethyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetic acid (PubChem CID 63646322) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetic acid
PubChem CID63646322
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name2-[carboxymethyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC(=O)NCC1CCCO1
InChIInChI=1S/C11H18N2O6/c14-9(12-4-8-2-1-3-19-8)5-13(6-10(15)16)7-11(17)18/h8H,1-7H2,(H,12,14)(H,15,16)(H,17,18)
InChIKeyZTMGNQRMQANKRO-UHFFFAOYSA-N
XLogP-1.25
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-prop-2-enylamino]propanoic acid
CID 82327265
2-[carboxymethyl(oxan-2-ylmethylcarbamoyl)amino]acetic acid
CID 63646163
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
2-cyclopentyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94814349
2-[butyl(2-hydroxyethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 60689519
6-(oxan-2-ylmethylamino)-6-oxohexanoic acid
CID 55014045
2-[acetyl(tert-butyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113166068
2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1072431
N',N'-diethyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943661
2-chloro-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 143235594

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetic acid (CID 63646322) is 2-[carboxymethyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetic acid is O=C(O)CN(CC(=O)O)CC(=O)NCC1CCCO1.
What is the InChIKey of 2-[carboxymethyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetic acid?
The InChIKey is ZTMGNQRMQANKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c14-9(12-4-8-2-1-3-19-8)5-13(6-10(15)16)7-11(17)18/h8H,1-7H2,(H,12,14)(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetic acid?
2-[carboxymethyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetic acid has a molecular weight of 274.27 g/mol, XLogP of -1.25, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 63646322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).