4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2,2-dimethylbutanoic acid

C11H23NO4 — CID 126571794

IUPAC4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2,2-dimethylbutanoic acid
SMILESCC(C)(C)OC(O)NCCC(C)(C)C(=O)O
InChIInChI=1S/C11H23NO4/c1-10(2,3)16-9(15)12-7-6-11(4,5)8(13)14/h9,12,15H,6-7H2,1-5H3,(H,13,14)
InChIKeyZWOJKSQCCFEBLI-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.17
Rot. Bonds6

About 4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2,2-dimethylbutanoic acid

4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2,2-dimethylbutanoic acid (PubChem CID 126571794) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2,2-dimethylbutanoic acid
PubChem CID126571794
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2,2-dimethylbutanoic acid
SMILESCC(C)(C)OC(O)NCCC(C)(C)C(=O)O
InChIInChI=1S/C11H23NO4/c1-10(2,3)16-9(15)12-7-6-11(4,5)8(13)14/h9,12,15H,6-7H2,1-5H3,(H,13,14)
InChIKeyZWOJKSQCCFEBLI-UHFFFAOYSA-N
XLogP1.17
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]butan-1-ol
CID 134403228
(S)-(4-methylpentylamino)-[(2-methylpropan-2-yl)oxy]methanol
CID 153489696
4-(heptan-4-ylamino)-2,2-dimethylbutanoic acid
CID 122127141
methyl (2S)-2-amino-3-[[(R)-hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]propanoate
CID 58674394
7-acetyl-2,2,12,12-tetramethyltridecanedioic acid
CID 59125155
4-(4-cyclopentylbutan-2-ylamino)-2,2-dimethylbutanoic acid
CID 122127314
2,2-dimethyl-4-(1-phenylbutan-2-ylamino)butanoic acid
CID 122127230
6-(2,3-dihydroxypropylsulfanyl)-2,2-dimethylhexanoic acid
CID 106714509
2,2-dimethyl-4-(prop-2-enoylamino)butanoic acid
CID 174997807
3-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]pentan-2-one
CID 123722508
azane;5-hydroxy-2,2-dimethylpentanoic acid
CID 172678902
2,2-dimethylhexanoic acid;hydrochloride
CID 87873074

Frequently Asked Questions

What is the IUPAC name of 4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2,2-dimethylbutanoic acid?
The IUPAC name of 4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2,2-dimethylbutanoic acid (CID 126571794) is 4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2,2-dimethylbutanoic acid is CC(C)(C)OC(O)NCCC(C)(C)C(=O)O.
What is the InChIKey of 4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2,2-dimethylbutanoic acid?
The InChIKey is ZWOJKSQCCFEBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-10(2,3)16-9(15)12-7-6-11(4,5)8(13)14/h9,12,15H,6-7H2,1-5H3,(H,13,14).
What are the key properties of 4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2,2-dimethylbutanoic acid?
4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2,2-dimethylbutanoic acid has a molecular weight of 233.31 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]-2,2-dimethylbutanoic acid is sourced from PubChem (CID 126571794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).