2-[2-[2-[2-[hydroxy(methyl)amino]acetyl]oxyethyl-methylamino]acetyl]oxy-2-methylpropanoic acid

C12H22N2O7 — CID 169191645

IUPAC2-[2-[2-[2-[hydroxy(methyl)amino]acetyl]oxyethyl-methylamino]acetyl]oxy-2-methylpropanoic acid
SMILESCN(O)CC(=O)OCCN(C)CC(=O)OC(C)(C)C(=O)O
InChIInChI=1S/C12H22N2O7/c1-12(2,11(17)18)21-10(16)7-13(3)5-6-20-9(15)8-14(4)19/h19H,5-8H2,1-4H3,(H,17,18)
InChIKeyYRVQBNPWBAZYSN-UHFFFAOYSA-N
MW306.32 g/mol
LogP-0.81
Rot. Bonds9

About 2-[2-[2-[2-[hydroxy(methyl)amino]acetyl]oxyethyl-methylamino]acetyl]oxy-2-methylpropanoic acid

2-[2-[2-[2-[hydroxy(methyl)amino]acetyl]oxyethyl-methylamino]acetyl]oxy-2-methylpropanoic acid (PubChem CID 169191645) has the molecular formula C12H22N2O7 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[2-[2-[2-[hydroxy(methyl)amino]acetyl]oxyethyl-methylamino]acetyl]oxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-[2-[2-[hydroxy(methyl)amino]acetyl]oxyethyl-methylamino]acetyl]oxy-2-methylpropanoic acid
PubChem CID169191645
Molecular FormulaC12H22N2O7
Molecular Weight306.32 g/mol
Exact Mass306.14
IUPAC Name2-[2-[2-[2-[hydroxy(methyl)amino]acetyl]oxyethyl-methylamino]acetyl]oxy-2-methylpropanoic acid
SMILESCN(O)CC(=O)OCCN(C)CC(=O)OC(C)(C)C(=O)O
InChIInChI=1S/C12H22N2O7/c1-12(2,11(17)18)21-10(16)7-13(3)5-6-20-9(15)8-14(4)19/h19H,5-8H2,1-4H3,(H,17,18)
InChIKeyYRVQBNPWBAZYSN-UHFFFAOYSA-N
XLogP-0.81
TPSA116.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[bis(3-hydroxypropyl)amino]acetyl]oxy-2-methylpropanoic acid
CID 169192087
tert-butyl 2-[2-[3-acetyloxypropyl(methyl)amino]acetyl]oxy-2-methylpropanoate
CID 176618140
2-[2-[2-[[2-[2-[2-[2-[2-[bis(carboxymethyl)amino]ethyl-methylamino]ethyl-methylamino]acetyl]oxyethoxy]-2-oxoethyl]-methylamino]ethyl-methylamino]ethyl-(carboxymethyl)amino]acetic acid
CID 89339466
tert-butyl 2-[2-[3-hydroxypropyl(methyl)amino]acetyl]oxy-2-methylpropanoate
CID 176618115
[2-(dimethylamino)-2-methylpropyl] 2-[2-ethoxyethyl(methyl)amino]acetate
CID 169192127
butyl 2-[2-methoxyethyl(methyl)amino]acetate
CID 61067992
propan-2-yl 2-[2-[bis[2-(2-aminoacetyl)oxyethyl]amino]acetyl]oxy-2-methylpropanoate
CID 170221775
tert-butyl 2-[methyl-[2-[2-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethylamino]ethyl]amino]acetate;molecular hydrogen
CID 145159668
2-[2-(2-bromo-2-methylpropanoyl)oxyethyl-methylamino]ethyl 2-bromo-2-methylpropanoate
CID 102025529
(E)-4-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]but-2-enoic acid
CID 167486900
2-[(2-methoxy-2-oxoethyl)-methylamino]ethyl 2-methylprop-2-enoate
CID 163436746
3,3-dimethylbutyl 2-[acetyl(methyl)amino]acetate
CID 78863396

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[hydroxy(methyl)amino]acetyl]oxyethyl-methylamino]acetyl]oxy-2-methylpropanoic acid?
The IUPAC name of 2-[2-[2-[2-[hydroxy(methyl)amino]acetyl]oxyethyl-methylamino]acetyl]oxy-2-methylpropanoic acid (CID 169191645) is 2-[2-[2-[2-[hydroxy(methyl)amino]acetyl]oxyethyl-methylamino]acetyl]oxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-[2-[2-[hydroxy(methyl)amino]acetyl]oxyethyl-methylamino]acetyl]oxy-2-methylpropanoic acid?
The canonical SMILES for 2-[2-[2-[2-[hydroxy(methyl)amino]acetyl]oxyethyl-methylamino]acetyl]oxy-2-methylpropanoic acid is CN(O)CC(=O)OCCN(C)CC(=O)OC(C)(C)C(=O)O.
What is the InChIKey of 2-[2-[2-[2-[hydroxy(methyl)amino]acetyl]oxyethyl-methylamino]acetyl]oxy-2-methylpropanoic acid?
The InChIKey is YRVQBNPWBAZYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O7/c1-12(2,11(17)18)21-10(16)7-13(3)5-6-20-9(15)8-14(4)19/h19H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 2-[2-[2-[2-[hydroxy(methyl)amino]acetyl]oxyethyl-methylamino]acetyl]oxy-2-methylpropanoic acid?
2-[2-[2-[2-[hydroxy(methyl)amino]acetyl]oxyethyl-methylamino]acetyl]oxy-2-methylpropanoic acid has a molecular weight of 306.32 g/mol, XLogP of -0.81, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[hydroxy(methyl)amino]acetyl]oxyethyl-methylamino]acetyl]oxy-2-methylpropanoic acid is sourced from PubChem (CID 169191645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).