5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanoic acid

C16H23NO3 — CID 62932980

IUPAC5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanoic acid
SMILESCC(C)(CC(=O)O)CC(N)c1ccc2c(c1)CCCO2
InChIInChI=1S/C16H23NO3/c1-16(2,10-15(18)19)9-13(17)11-5-6-14-12(8-11)4-3-7-20-14/h5-6,8,13H,3-4,7,9-10,17H2,1-2H3,(H,18,19)
InChIKeyQSDWLYKEURIHKT-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.90
Rot. Bonds5

About 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanoic acid

5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanoic acid (PubChem CID 62932980) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanoic acid.

Molecular Properties

Compound Name5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanoic acid
PubChem CID62932980
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanoic acid
SMILESCC(C)(CC(=O)O)CC(N)c1ccc2c(c1)CCCO2
InChIInChI=1S/C16H23NO3/c1-16(2,10-15(18)19)9-13(17)11-5-6-14-12(8-11)4-3-7-20-14/h5-6,8,13H,3-4,7,9-10,17H2,1-2H3,(H,18,19)
InChIKeyQSDWLYKEURIHKT-UHFFFAOYSA-N
XLogP2.90
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanamide
CID 62932981
4-amino-4-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethylbutanamide
CID 65297971
5-amino-5-(1,3-dihydro-2-benzofuran-5-yl)-3,3-dimethylpentanoic acid
CID 63019902
5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide
CID 54907654
3,4-diamino-4-(3,4-dihydro-2H-chromen-6-yl)butanoic acid
CID 116942828
(4R)-4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 28744449
4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 43209176
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol
CID 82242253
3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile
CID 116851252
1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclobutane-1-carboxylic acid
CID 116944092
methyl 2-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutanoate
CID 116964483
2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine
CID 103163028

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanoic acid?
The IUPAC name of 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanoic acid (CID 62932980) is 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanoic acid.
What is the SMILES notation for 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanoic acid?
The canonical SMILES for 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanoic acid is CC(C)(CC(=O)O)CC(N)c1ccc2c(c1)CCCO2.
What is the InChIKey of 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanoic acid?
The InChIKey is QSDWLYKEURIHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-16(2,10-15(18)19)9-13(17)11-5-6-14-12(8-11)4-3-7-20-14/h5-6,8,13H,3-4,7,9-10,17H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanoic acid?
5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanoic acid is sourced from PubChem (CID 62932980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).