3-[(3-ethoxy-2-hydroxypropyl)-methylamino]-2-methylpropanoic acid

C10H21NO4 — CID 63933197

IUPAC3-[(3-ethoxy-2-hydroxypropyl)-methylamino]-2-methylpropanoic acid
SMILESCCOCC(O)CN(C)CC(C)C(=O)O
InChIInChI=1S/C10H21NO4/c1-4-15-7-9(12)6-11(3)5-8(2)10(13)14/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyBPYJTGRPKMCTFW-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.04
Rot. Bonds8

About 3-[(3-ethoxy-2-hydroxypropyl)-methylamino]-2-methylpropanoic acid

3-[(3-ethoxy-2-hydroxypropyl)-methylamino]-2-methylpropanoic acid (PubChem CID 63933197) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-[(3-ethoxy-2-hydroxypropyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(3-ethoxy-2-hydroxypropyl)-methylamino]-2-methylpropanoic acid
PubChem CID63933197
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name3-[(3-ethoxy-2-hydroxypropyl)-methylamino]-2-methylpropanoic acid
SMILESCCOCC(O)CN(C)CC(C)C(=O)O
InChIInChI=1S/C10H21NO4/c1-4-15-7-9(12)6-11(3)5-8(2)10(13)14/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyBPYJTGRPKMCTFW-UHFFFAOYSA-N
XLogP0.04
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-ethoxy-3-[methyl-[(2R)-2-phenylpropyl]amino]propan-2-ol
CID 98764184
(2S)-1-ethoxy-3-[methyl-[(2S)-2-phenylpropyl]amino]propan-2-ol
CID 95626159
1-ethoxy-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
CID 63934385
1-[2-(dimethylamino)ethyl-methylamino]-3-ethoxypropan-2-ol
CID 63932351
1-ethoxy-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 80710339
2-[(3-ethoxy-2-hydroxypropyl)-(2-methylpropyl)amino]acetic acid
CID 63931982
5-ethoxy-2-ethoxycarbonyl-4-hydroxypentanoic acid
CID 103973534
2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 106916265
3-ethoxy-2-[methyl(2-methylpropyl)amino]propanoic acid
CID 163401072
3-[[[(2R)-3-ethoxy-2-hydroxypropyl]-methylamino]methyl]benzamide
CID 96540781
3-[butyl(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82328233
3-[3-ethoxypropyl(propyl)amino]-2-methylpropanoic acid
CID 82328136

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxy-2-hydroxypropyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(3-ethoxy-2-hydroxypropyl)-methylamino]-2-methylpropanoic acid (CID 63933197) is 3-[(3-ethoxy-2-hydroxypropyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(3-ethoxy-2-hydroxypropyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(3-ethoxy-2-hydroxypropyl)-methylamino]-2-methylpropanoic acid is CCOCC(O)CN(C)CC(C)C(=O)O.
What is the InChIKey of 3-[(3-ethoxy-2-hydroxypropyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is BPYJTGRPKMCTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-4-15-7-9(12)6-11(3)5-8(2)10(13)14/h8-9,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 3-[(3-ethoxy-2-hydroxypropyl)-methylamino]-2-methylpropanoic acid?
3-[(3-ethoxy-2-hydroxypropyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 219.28 g/mol, XLogP of 0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-2-hydroxypropyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 63933197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).