2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxypropanoic acid

C9H19NO6 — CID 174434996

IUPAC2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxypropanoic acid
SMILESCC(C)(CO)C(N)C(=O)O.CC(O)C(=O)O
InChIInChI=1S/C6H13NO3.C3H6O3/c1-6(2,3-8)4(7)5(9)10;1-2(4)3(5)6/h4,8H,3,7H2,1-2H3,(H,9,10);2,4H,1H3,(H,5,6)
InChIKeyCRYPOYLUKLZART-UHFFFAOYSA-N
MW237.25 g/mol
LogP-1.13
Rot. Bonds4

About 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxypropanoic acid

2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxypropanoic acid (PubChem CID 174434996) has the molecular formula C9H19NO6 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxypropanoic acid.

Molecular Properties

Compound Name2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxypropanoic acid
PubChem CID174434996
Molecular FormulaC9H19NO6
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxypropanoic acid
SMILESCC(C)(CO)C(N)C(=O)O.CC(O)C(=O)O
InChIInChI=1S/C6H13NO3.C3H6O3/c1-6(2,3-8)4(7)5(9)10;1-2(4)3(5)6/h4,8H,3,7H2,1-2H3,(H,9,10);2,4H,1H3,(H,5,6)
InChIKeyCRYPOYLUKLZART-UHFFFAOYSA-N
XLogP-1.13
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 5-1.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2,6-dihydroxyhexanoic acid
CID 174310964
2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-phenylpropanoic acid
CID 159816827
2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxyhexanedioic acid
CID 174307354
2-amino-4-hydroxy-3,3-dimethylbutanoic acid;phenol;propanoic acid
CID 174393301
CID 131881947
CID 131881947
(2R)-2,4-dihydroxy-3,3-dimethylbutanoic acid;guanidine
CID 88797695
2-amino-4-hydroxy-3,3-dimethylpentanoic acid
CID 11997558
2-hydroxypropanoic acid
CID 87075455
2-hydroxypropanoic acid;propane-1,2-diol
CID 87142668
ethanol;2-hydroxypropanoic acid;zinc
CID 162356174
2-amino-3-[[(1R)-1-amino-1-carboxy-2-methylpropan-2-yl]disulfanyl]-3-methylbutanoic acid
CID 54200597
2-aminoethane-1,1,1-triol;2-hydroxypropanoic acid
CID 158538146

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxypropanoic acid?
The IUPAC name of 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxypropanoic acid (CID 174434996) is 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxypropanoic acid.
What is the SMILES notation for 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxypropanoic acid?
The canonical SMILES for 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxypropanoic acid is CC(C)(CO)C(N)C(=O)O.CC(O)C(=O)O.
What is the InChIKey of 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxypropanoic acid?
The InChIKey is CRYPOYLUKLZART-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3.C3H6O3/c1-6(2,3-8)4(7)5(9)10;1-2(4)3(5)6/h4,8H,3,7H2,1-2H3,(H,9,10);2,4H,1H3,(H,5,6).
What are the key properties of 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxypropanoic acid?
2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxypropanoic acid has a molecular weight of 237.25 g/mol, XLogP of -1.13, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxypropanoic acid is sourced from PubChem (CID 174434996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).