2-amino-2,3-dimethylbutanoic acid;diphenylmethanone

C19H23NO3 — CID 174596221

IUPAC2-amino-2,3-dimethylbutanoic acid;diphenylmethanone
SMILESCC(C)C(C)(N)C(=O)O.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C6H13NO2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-4(2)6(3,7)5(8)9/h1-10H;4H,7H2,1-3H3,(H,8,9)
InChIKeyDJGKRYFJFJLOTN-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.36
Rot. Bonds4

About 2-amino-2,3-dimethylbutanoic acid;diphenylmethanone

2-amino-2,3-dimethylbutanoic acid;diphenylmethanone (PubChem CID 174596221) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-amino-2,3-dimethylbutanoic acid;diphenylmethanone.

Molecular Properties

Compound Name2-amino-2,3-dimethylbutanoic acid;diphenylmethanone
PubChem CID174596221
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-amino-2,3-dimethylbutanoic acid;diphenylmethanone
SMILESCC(C)C(C)(N)C(=O)O.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C6H13NO2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-4(2)6(3,7)5(8)9/h1-10H;4H,7H2,1-3H3,(H,8,9)
InChIKeyDJGKRYFJFJLOTN-UHFFFAOYSA-N
XLogP3.36
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethylpropane;diphenylmethanone
CID 159191976
butane-2,3-diol;diphenylmethanone
CID 175235923
(2R,3R)-2,3-diamino-2-methyl-3-phenylpropanoic acid
CID 24999684
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
acetic acid;diphenylmethanone;hydrate
CID 161284686
magnesium;diphenylmethanone;hydride
CID 175114327
diphenylmethanone;hydron;fluoride
CID 21465824

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,3-dimethylbutanoic acid;diphenylmethanone?
The IUPAC name of 2-amino-2,3-dimethylbutanoic acid;diphenylmethanone (CID 174596221) is 2-amino-2,3-dimethylbutanoic acid;diphenylmethanone.
What is the SMILES notation for 2-amino-2,3-dimethylbutanoic acid;diphenylmethanone?
The canonical SMILES for 2-amino-2,3-dimethylbutanoic acid;diphenylmethanone is CC(C)C(C)(N)C(=O)O.O=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-amino-2,3-dimethylbutanoic acid;diphenylmethanone?
The InChIKey is DJGKRYFJFJLOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C6H13NO2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-4(2)6(3,7)5(8)9/h1-10H;4H,7H2,1-3H3,(H,8,9).
What are the key properties of 2-amino-2,3-dimethylbutanoic acid;diphenylmethanone?
2-amino-2,3-dimethylbutanoic acid;diphenylmethanone has a molecular weight of 313.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,3-dimethylbutanoic acid;diphenylmethanone is sourced from PubChem (CID 174596221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).