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

C15H23NO5 — CID 159816827

IUPAC2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-phenylpropanoic acid
SMILESCC(C(=O)O)c1ccccc1.CC(C)(CO)C(N)C(=O)O
InChIInChI=1S/C9H10O2.C6H13NO3/c1-7(9(10)11)8-5-3-2-4-6-8;1-6(2,3-8)4(7)5(9)10/h2-7H,1H3,(H,10,11);4,8H,3,7H2,1-2H3,(H,9,10)
InChIKeyNLSHUBFSCOYWFR-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.29
Rot. Bonds5

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

2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-phenylpropanoic acid (PubChem CID 159816827) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-phenylpropanoic acid.

Molecular Properties

Compound Name2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-phenylpropanoic acid
PubChem CID159816827
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-phenylpropanoic acid
SMILESCC(C(=O)O)c1ccccc1.CC(C)(CO)C(N)C(=O)O
InChIInChI=1S/C9H10O2.C6H13NO3/c1-7(9(10)11)8-5-3-2-4-6-8;1-6(2,3-8)4(7)5(9)10/h2-7H,1H3,(H,10,11);4,8H,3,7H2,1-2H3,(H,9,10)
InChIKeyNLSHUBFSCOYWFR-UHFFFAOYSA-N
XLogP1.29
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

ethane-1,2-diol;2-phenylpropanoic acid
CID 175461834
2-amino-4-hydroxy-3,3-dimethylbutanoic acid;phenol;propanoic acid
CID 174393301
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-phenylpropanoic acid;dihydrochloride
CID 162109025
ethoxyethane;2-phenylpropanoic acid
CID 174766454
bis(3-phenylbutan-2-one);2-phenylpropanoic acid
CID 143307414
2-(2-hydroxyethylamino)ethanol;2-phenylpropanoic acid
CID 160914011
(2R)-2-(4-hydroxyphenyl)propanoic acid;(1S)-1-phenylethanamine
CID 162087543
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
2,2-dimethyl-3,3-diphenylpropan-1-ol
CID 15315706
(2S)-2,6-diaminohexanoic acid;2-phenylpropanoic acid
CID 175701215

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-phenylpropanoic acid?
The IUPAC name of 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-phenylpropanoic acid (CID 159816827) is 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-phenylpropanoic acid.
What is the SMILES notation for 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-phenylpropanoic acid?
The canonical SMILES for 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-phenylpropanoic acid is CC(C(=O)O)c1ccccc1.CC(C)(CO)C(N)C(=O)O.
What is the InChIKey of 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-phenylpropanoic acid?
The InChIKey is NLSHUBFSCOYWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C6H13NO3/c1-7(9(10)11)8-5-3-2-4-6-8;1-6(2,3-8)4(7)5(9)10/h2-7H,1H3,(H,10,11);4,8H,3,7H2,1-2H3,(H,9,10).
What are the key properties of 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-phenylpropanoic acid?
2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-phenylpropanoic acid has a molecular weight of 297.35 g/mol, XLogP of 1.29, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-phenylpropanoic acid is sourced from PubChem (CID 159816827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).