2-[bis(2,3-dihydroxypropyl)amino]-3-methylbutanoic acid

C11H23NO6 — CID 23364153

IUPAC2-[bis(2,3-dihydroxypropyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)N(CC(O)CO)CC(O)CO
InChIInChI=1S/C11H23NO6/c1-7(2)10(11(17)18)12(3-8(15)5-13)4-9(16)6-14/h7-10,13-16H,3-6H2,1-2H3,(H,17,18)
InChIKeyQCTUYFLOOJKCFU-UHFFFAOYSA-N
MW265.31 g/mol
LogP-1.90
Rot. Bonds9

About 2-[bis(2,3-dihydroxypropyl)amino]-3-methylbutanoic acid

2-[bis(2,3-dihydroxypropyl)amino]-3-methylbutanoic acid (PubChem CID 23364153) has the molecular formula C11H23NO6 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[bis(2,3-dihydroxypropyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[bis(2,3-dihydroxypropyl)amino]-3-methylbutanoic acid
PubChem CID23364153
Molecular FormulaC11H23NO6
Molecular Weight265.31 g/mol
Exact Mass265.15
IUPAC Name2-[bis(2,3-dihydroxypropyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)N(CC(O)CO)CC(O)CO
InChIInChI=1S/C11H23NO6/c1-7(2)10(11(17)18)12(3-8(15)5-13)4-9(16)6-14/h7-10,13-16H,3-6H2,1-2H3,(H,17,18)
InChIKeyQCTUYFLOOJKCFU-UHFFFAOYSA-N
XLogP-1.90
TPSA121.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-1.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-[bis(carboxymethyl)amino]-3-methylbutanoic acid
CID 23422375
(2S)-2-[bis(phosphonomethyl)amino]-3-methylbutanoic acid
CID 87461807
2-[2-hydroxyethyl(propyl)amino]-3-methylbutanoic acid
CID 61425240
carbonic acid;2-hydroxypropanoic acid;propane-1,2,3-triol
CID 157221053
3-[2-aminoethyl(propan-2-yl)amino]propane-1,2-diol
CID 82849695
butane-1,2-diol;2-hydroxypropanoic acid
CID 161003332
2-(dimethylamino)-3-methylbutanoic acid;hydrochloride
CID 71299250
3-N,5-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N,5-N-dimethylbenzene-1,3,5-tricarboxamide
CID 12940863
(2S)-N-(2,3-dihydroxypropyl)-N,3,3-trimethyl-2-propan-2-ylbutanamide
CID 87847856
3-methyl-2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916274
2-hydroxypropanoic acid;propane-1,2-diol
CID 87142668
acetic acid;propane-1,2,3-triol;propan-2-one
CID 158983887

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2,3-dihydroxypropyl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[bis(2,3-dihydroxypropyl)amino]-3-methylbutanoic acid (CID 23364153) is 2-[bis(2,3-dihydroxypropyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[bis(2,3-dihydroxypropyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[bis(2,3-dihydroxypropyl)amino]-3-methylbutanoic acid is CC(C)C(C(=O)O)N(CC(O)CO)CC(O)CO.
What is the InChIKey of 2-[bis(2,3-dihydroxypropyl)amino]-3-methylbutanoic acid?
The InChIKey is QCTUYFLOOJKCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO6/c1-7(2)10(11(17)18)12(3-8(15)5-13)4-9(16)6-14/h7-10,13-16H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 2-[bis(2,3-dihydroxypropyl)amino]-3-methylbutanoic acid?
2-[bis(2,3-dihydroxypropyl)amino]-3-methylbutanoic acid has a molecular weight of 265.31 g/mol, XLogP of -1.90, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2,3-dihydroxypropyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 23364153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).