2-[2-[bis(3-hydroxypropyl)amino]acetyl]oxy-2-methylpropanoic acid

C12H23NO6 — CID 169192087

IUPAC2-[2-[bis(3-hydroxypropyl)amino]acetyl]oxy-2-methylpropanoic acid
SMILESCC(C)(OC(=O)CN(CCCO)CCCO)C(=O)O
InChIInChI=1S/C12H23NO6/c1-12(2,11(17)18)19-10(16)9-13(5-3-7-14)6-4-8-15/h14-15H,3-9H2,1-2H3,(H,17,18)
InChIKeyZZZUSDYCANGCOR-UHFFFAOYSA-N
MW277.32 g/mol
LogP-0.54
Rot. Bonds10

About 2-[2-[bis(3-hydroxypropyl)amino]acetyl]oxy-2-methylpropanoic acid

2-[2-[bis(3-hydroxypropyl)amino]acetyl]oxy-2-methylpropanoic acid (PubChem CID 169192087) has the molecular formula C12H23NO6 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[2-[bis(3-hydroxypropyl)amino]acetyl]oxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-[bis(3-hydroxypropyl)amino]acetyl]oxy-2-methylpropanoic acid
PubChem CID169192087
Molecular FormulaC12H23NO6
Molecular Weight277.32 g/mol
Exact Mass277.15
IUPAC Name2-[2-[bis(3-hydroxypropyl)amino]acetyl]oxy-2-methylpropanoic acid
SMILESCC(C)(OC(=O)CN(CCCO)CCCO)C(=O)O
InChIInChI=1S/C12H23NO6/c1-12(2,11(17)18)19-10(16)9-13(5-3-7-14)6-4-8-15/h14-15H,3-9H2,1-2H3,(H,17,18)
InChIKeyZZZUSDYCANGCOR-UHFFFAOYSA-N
XLogP-0.54
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-[butyl(2-hydroxyethyl)amino]acetate
CID 60689457
tert-butyl 2-[2-[3-hydroxypropyl(methyl)amino]acetyl]oxy-2-methylpropanoate
CID 176618115
2-[2-[2-[2-[hydroxy(methyl)amino]acetyl]oxyethyl-methylamino]acetyl]oxy-2-methylpropanoic acid
CID 169191645
4-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoic acid
CID 71382387
tert-butyl 2-[3-hydroxypropyl(pyridin-3-ylmethyl)amino]acetate
CID 71846092
tert-butyl 2-[3-aminopropyl(2-methoxyethyl)amino]acetate
CID 113366624
tert-butyl 2-[propyl(undecyl)amino]acetate
CID 146733581
2-[2-(2-hydroxyethylamino)acetyl]oxy-2-methylpropanoic acid;tungsten
CID 169191964
propan-2-yl 2-[2-[bis[2-(2-aminoacetyl)oxyethyl]amino]acetyl]oxy-2-methylpropanoate
CID 170221775
methyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 55210802
ethyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 62229761
sodium 2-[bis(3-hydroxypropyl)amino]acetate
CID 23683231

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(3-hydroxypropyl)amino]acetyl]oxy-2-methylpropanoic acid?
The IUPAC name of 2-[2-[bis(3-hydroxypropyl)amino]acetyl]oxy-2-methylpropanoic acid (CID 169192087) is 2-[2-[bis(3-hydroxypropyl)amino]acetyl]oxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-[bis(3-hydroxypropyl)amino]acetyl]oxy-2-methylpropanoic acid?
The canonical SMILES for 2-[2-[bis(3-hydroxypropyl)amino]acetyl]oxy-2-methylpropanoic acid is CC(C)(OC(=O)CN(CCCO)CCCO)C(=O)O.
What is the InChIKey of 2-[2-[bis(3-hydroxypropyl)amino]acetyl]oxy-2-methylpropanoic acid?
The InChIKey is ZZZUSDYCANGCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO6/c1-12(2,11(17)18)19-10(16)9-13(5-3-7-14)6-4-8-15/h14-15H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-[bis(3-hydroxypropyl)amino]acetyl]oxy-2-methylpropanoic acid?
2-[2-[bis(3-hydroxypropyl)amino]acetyl]oxy-2-methylpropanoic acid has a molecular weight of 277.32 g/mol, XLogP of -0.54, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(3-hydroxypropyl)amino]acetyl]oxy-2-methylpropanoic acid is sourced from PubChem (CID 169192087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).