2-[bis(1,3-dihydroxypropan-2-yl)amino]-2-methylpropanoic acid

C10H21NO6 — CID 22902522

IUPAC2-[bis(1,3-dihydroxypropan-2-yl)amino]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N(C(CO)CO)C(CO)CO
InChIInChI=1S/C10H21NO6/c1-10(2,9(16)17)11(7(3-12)4-13)8(5-14)6-15/h7-8,12-15H,3-6H2,1-2H3,(H,16,17)
InChIKeyXIAVOPXLARZNGN-UHFFFAOYSA-N
MW251.28 g/mol
LogP-2.14
Rot. Bonds8

About 2-[bis(1,3-dihydroxypropan-2-yl)amino]-2-methylpropanoic acid

2-[bis(1,3-dihydroxypropan-2-yl)amino]-2-methylpropanoic acid (PubChem CID 22902522) has the molecular formula C10H21NO6 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[bis(1,3-dihydroxypropan-2-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[bis(1,3-dihydroxypropan-2-yl)amino]-2-methylpropanoic acid
PubChem CID22902522
Molecular FormulaC10H21NO6
Molecular Weight251.28 g/mol
Exact Mass251.14
IUPAC Name2-[bis(1,3-dihydroxypropan-2-yl)amino]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N(C(CO)CO)C(CO)CO
InChIInChI=1S/C10H21NO6/c1-10(2,9(16)17)11(7(3-12)4-13)8(5-14)6-15/h7-8,12-15H,3-6H2,1-2H3,(H,16,17)
InChIKeyXIAVOPXLARZNGN-UHFFFAOYSA-N
XLogP-2.14
TPSA121.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 5-2.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2,4,5-trihydroxy-2-methylpentanoic acid
CID 87080116
2-[2-hydroxypropyl(methyl)amino]-2-methylpropanoic acid
CID 62819775
acetic acid;propane-1,2,3-triol;propan-2-one
CID 158983887
2,2-diacetyl-3-oxobutanoic acid;propane-1,2,3-triol
CID 158102004
2-[tert-butyl(ethyl)amino]-2-methylpropanoic acid
CID 22683291
acetic acid;ethane-1,2-diol;propane-1,2,3-triol
CID 174966848
bis(2-oxopropanoic acid);bis(propane-1,2,3-triol)
CID 175927088
2-[4-hydroxybutyl(methyl)amino]-2-methylpropanoic acid
CID 62817674
2-(2,3-dihydroxypropylamino)-2-methylpentanoic acid
CID 82851075
2,2-dihydroxypropanoic acid;(2R)-2,3-dihydroxypropanoic acid
CID 159861269
2-[ethyl(2-ethylbutyl)amino]-2-methylpropanoic acid
CID 61438417
2-[2,2-difluoroethyl(ethyl)amino]-2-methylpropanoic acid
CID 62820146

Frequently Asked Questions

What is the IUPAC name of 2-[bis(1,3-dihydroxypropan-2-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[bis(1,3-dihydroxypropan-2-yl)amino]-2-methylpropanoic acid (CID 22902522) is 2-[bis(1,3-dihydroxypropan-2-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[bis(1,3-dihydroxypropan-2-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[bis(1,3-dihydroxypropan-2-yl)amino]-2-methylpropanoic acid is CC(C)(C(=O)O)N(C(CO)CO)C(CO)CO.
What is the InChIKey of 2-[bis(1,3-dihydroxypropan-2-yl)amino]-2-methylpropanoic acid?
The InChIKey is XIAVOPXLARZNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO6/c1-10(2,9(16)17)11(7(3-12)4-13)8(5-14)6-15/h7-8,12-15H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-[bis(1,3-dihydroxypropan-2-yl)amino]-2-methylpropanoic acid?
2-[bis(1,3-dihydroxypropan-2-yl)amino]-2-methylpropanoic acid has a molecular weight of 251.28 g/mol, XLogP of -2.14, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(1,3-dihydroxypropan-2-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 22902522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).