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

C12H23NO8 — CID 174307354

IUPAC2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxyhexanedioic acid
SMILESCC(C)(CO)C(N)C(=O)O.O=C(O)CCCC(O)C(=O)O
InChIInChI=1S/C6H13NO3.C6H10O5/c1-6(2,3-8)4(7)5(9)10;7-4(6(10)11)2-1-3-5(8)9/h4,8H,3,7H2,1-2H3,(H,9,10);4,7H,1-3H2,(H,8,9)(H,10,11)
InChIKeyAYPCULNVNHKAOY-UHFFFAOYSA-N
MW309.32 g/mol
LogP-0.90
Rot. Bonds8

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

2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxyhexanedioic acid (PubChem CID 174307354) has the molecular formula C12H23NO8 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxyhexanedioic acid.

Molecular Properties

Compound Name2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxyhexanedioic acid
PubChem CID174307354
Molecular FormulaC12H23NO8
Molecular Weight309.32 g/mol
Exact Mass309.14
IUPAC Name2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxyhexanedioic acid
SMILESCC(C)(CO)C(N)C(=O)O.O=C(O)CCCC(O)C(=O)O
InChIInChI=1S/C6H13NO3.C6H10O5/c1-6(2,3-8)4(7)5(9)10;7-4(6(10)11)2-1-3-5(8)9/h4,8H,3,7H2,1-2H3,(H,9,10);4,7H,1-3H2,(H,8,9)(H,10,11)
InChIKeyAYPCULNVNHKAOY-UHFFFAOYSA-N
XLogP-0.90
TPSA178.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.32
LogP ≤ 5-0.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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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-hydroxypropanoic acid
CID 174434996
2-hydroxyheptanedioic acid
CID 160889869
2-hydroxynonanedioic acid
CID 12760708
2-hydroxyoctadecanoic acid;octadecanoic acid
CID 87989363
2-amino-4-hydroxy-3,3-dimethylbutanoic acid;phenol;propanoic acid
CID 174393301
2-(1,1-diaminoethyl)hexanedioic acid
CID 174466559
hexanedioic acid;2-hydroxyoctadecanoic acid;octadecanoic acid;propane-1,2,3-triol
CID 131718041
4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxybutanoic acid
CID 16107
2-hydroxypentanedioic acid;urea
CID 175478828
5-hydroxy-6-methylhept-6-enoic acid
CID 22417308
2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-phenylpropanoic acid
CID 159816827

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxyhexanedioic acid?
The IUPAC name of 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxyhexanedioic acid (CID 174307354) is 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxyhexanedioic acid.
What is the SMILES notation for 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxyhexanedioic acid?
The canonical SMILES for 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxyhexanedioic acid is CC(C)(CO)C(N)C(=O)O.O=C(O)CCCC(O)C(=O)O.
What is the InChIKey of 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxyhexanedioic acid?
The InChIKey is AYPCULNVNHKAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3.C6H10O5/c1-6(2,3-8)4(7)5(9)10;7-4(6(10)11)2-1-3-5(8)9/h4,8H,3,7H2,1-2H3,(H,9,10);4,7H,1-3H2,(H,8,9)(H,10,11).
What are the key properties of 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxyhexanedioic acid?
2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxyhexanedioic acid has a molecular weight of 309.32 g/mol, XLogP of -0.90, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxyhexanedioic acid is sourced from PubChem (CID 174307354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).