2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid

C8H17NO4 — CID 104643937

IUPAC2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid
SMILESCC(C)(CO)NCC(C)(O)C(=O)O
InChIInChI=1S/C8H17NO4/c1-7(2,5-10)9-4-8(3,13)6(11)12/h9-10,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyFONSLRWSVNOEBS-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.82
Rot. Bonds5

About 2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid

2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid (PubChem CID 104643937) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid
PubChem CID104643937
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid
SMILESCC(C)(CO)NCC(C)(O)C(=O)O
InChIInChI=1S/C8H17NO4/c1-7(2,5-10)9-4-8(3,13)6(11)12/h9-10,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyFONSLRWSVNOEBS-UHFFFAOYSA-N
XLogP-0.82
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanoic acid
CID 165464166
1,3,4-trihydroxy-3-methylbutan-2-one
CID 14120419
2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid
CID 66172744
2-hydroxy-3-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
CID 104644711
2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
CID 104644167
2-[[2-(tert-butylamino)-2-methylpropyl]amino]-2-methylpropan-1-ol
CID 58721712
2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid
CID 66173456
3-[[2-(ethylamino)-2-methylpropanoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176397
2-hydroxy-2-methyl-3-(prop-2-ynylamino)propanoic acid
CID 104643565
3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173185
2-hydroxy-2-methyl-3-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid
CID 66177435
2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylamino]-2-methylpropan-1-ol;methane
CID 158688440

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid (CID 104643937) is 2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid is CC(C)(CO)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid?
The InChIKey is FONSLRWSVNOEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-7(2,5-10)9-4-8(3,13)6(11)12/h9-10,13H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid?
2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid has a molecular weight of 191.23 g/mol, XLogP of -0.82, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 104643937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).