2-[2-hydroxypropyl(methyl)amino]-2-methylpropanoic acid

C8H17NO3 — CID 62819775

IUPAC2-[2-hydroxypropyl(methyl)amino]-2-methylpropanoic acid
SMILESCC(O)CN(C)C(C)(C)C(=O)O
InChIInChI=1S/C8H17NO3/c1-6(10)5-9(4)8(2,3)7(11)12/h6,10H,5H2,1-4H3,(H,11,12)
InChIKeyLTVFYPGOYGZKEA-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.16
Rot. Bonds4

About 2-[2-hydroxypropyl(methyl)amino]-2-methylpropanoic acid

2-[2-hydroxypropyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 62819775) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-[2-hydroxypropyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-hydroxypropyl(methyl)amino]-2-methylpropanoic acid
PubChem CID62819775
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-[2-hydroxypropyl(methyl)amino]-2-methylpropanoic acid
SMILESCC(O)CN(C)C(C)(C)C(=O)O
InChIInChI=1S/C8H17NO3/c1-6(10)5-9(4)8(2,3)7(11)12/h6,10H,5H2,1-4H3,(H,11,12)
InChIKeyLTVFYPGOYGZKEA-UHFFFAOYSA-N
XLogP0.16
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[methyl-[methyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 62821986
2-[[2-(butan-2-ylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 62821960
2-[(2-ethyl-2-hydroxybutyl)-methylamino]-2-methylpropanoic acid
CID 114494902
2-[4-hydroxybutyl(methyl)amino]-2-methylpropanoic acid
CID 62817674
3-[tert-butyl(methyl)amino]-2-methylpropanoic acid
CID 82111352
N-(2-hydroxypropyl)-N,3,3-trimethylbutanamide
CID 62335118
1-[methyl(2-methylbut-3-yn-2-yl)amino]propan-2-ol
CID 130128100
1-[methyl-[2-methyl-1-[methyl(2-methylbutan-2-yl)amino]propan-2-yl]amino]propan-2-ol
CID 165002864
2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79800841
ethyl 2-methyl-2-[methyl(2-methylpropyl)amino]propanoate
CID 115128719
2-[[(2R)-2-aminopropanoyl]-methylamino]-2-methylpropanoic acid
CID 78917580
1-[2-hydroxypropyl(methyl)amino]-3,3-dimethylbutan-2-one
CID 62333398

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxypropyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[2-hydroxypropyl(methyl)amino]-2-methylpropanoic acid (CID 62819775) is 2-[2-hydroxypropyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-hydroxypropyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-hydroxypropyl(methyl)amino]-2-methylpropanoic acid is CC(O)CN(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[2-hydroxypropyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is LTVFYPGOYGZKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-6(10)5-9(4)8(2,3)7(11)12/h6,10H,5H2,1-4H3,(H,11,12).
What are the key properties of 2-[2-hydroxypropyl(methyl)amino]-2-methylpropanoic acid?
2-[2-hydroxypropyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxypropyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62819775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).