2-[carboxymethyl(oxan-2-ylmethylcarbamoyl)amino]acetic acid

C11H18N2O6 — CID 63646163

IUPAC2-[carboxymethyl(oxan-2-ylmethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)NCC1CCCCO1
InChIInChI=1S/C11H18N2O6/c14-9(15)6-13(7-10(16)17)11(18)12-5-8-3-1-2-4-19-8/h8H,1-7H2,(H,12,18)(H,14,15)(H,16,17)
InChIKeyCLVHCADKUOAPTC-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.26
Rot. Bonds6

About 2-[carboxymethyl(oxan-2-ylmethylcarbamoyl)amino]acetic acid

2-[carboxymethyl(oxan-2-ylmethylcarbamoyl)amino]acetic acid (PubChem CID 63646163) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-[carboxymethyl(oxan-2-ylmethylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(oxan-2-ylmethylcarbamoyl)amino]acetic acid
PubChem CID63646163
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name2-[carboxymethyl(oxan-2-ylmethylcarbamoyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)NCC1CCCCO1
InChIInChI=1S/C11H18N2O6/c14-9(15)6-13(7-10(16)17)11(18)12-5-8-3-1-2-4-19-8/h8H,1-7H2,(H,12,18)(H,14,15)(H,16,17)
InChIKeyCLVHCADKUOAPTC-UHFFFAOYSA-N
XLogP-0.26
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[oxan-2-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266128
2-[carboxymethyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetic acid
CID 63646322
2-[carboxymethyl(cyclopentylmethylcarbamoyl)amino]acetic acid
CID 55246133
2-[2-(oxan-2-yl)ethylcarbamoyl-prop-2-enylamino]acetic acid
CID 114135745
2-[carboxymethyl-[3-(oxan-2-yl)propanoyl]amino]acetic acid
CID 63951112
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
6-(oxan-2-ylmethylamino)-6-oxohexanoic acid
CID 55014045
2,2-dimethyl-3-(oxan-2-ylmethylamino)-3-oxopropanoic acid
CID 82820907
2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63645794
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828
6-(oxan-2-ylmethylcarbamoylamino)hexanoic acid
CID 55013881
5-(oxan-2-ylmethylcarbamoylamino)-5-oxopentanoic acid
CID 55013418

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(oxan-2-ylmethylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(oxan-2-ylmethylcarbamoyl)amino]acetic acid (CID 63646163) is 2-[carboxymethyl(oxan-2-ylmethylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(oxan-2-ylmethylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(oxan-2-ylmethylcarbamoyl)amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)NCC1CCCCO1.
What is the InChIKey of 2-[carboxymethyl(oxan-2-ylmethylcarbamoyl)amino]acetic acid?
The InChIKey is CLVHCADKUOAPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c14-9(15)6-13(7-10(16)17)11(18)12-5-8-3-1-2-4-19-8/h8H,1-7H2,(H,12,18)(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl(oxan-2-ylmethylcarbamoyl)amino]acetic acid?
2-[carboxymethyl(oxan-2-ylmethylcarbamoyl)amino]acetic acid has a molecular weight of 274.27 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(oxan-2-ylmethylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 63646163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).