(2,2-dimethyl-3,4-dihydrochromen-3-yl) 2-amino-2-methylpropanoate

C15H21NO3 — CID 175925706

IUPAC(2,2-dimethyl-3,4-dihydrochromen-3-yl) 2-amino-2-methylpropanoate
SMILESCC(C)(N)C(=O)OC1Cc2ccccc2OC1(C)C
InChIInChI=1S/C15H21NO3/c1-14(2,16)13(17)18-12-9-10-7-5-6-8-11(10)19-15(12,3)4/h5-8,12H,9,16H2,1-4H3
InChIKeyNKCQTEMETWHVOI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.05
Rot. Bonds2

About (2,2-dimethyl-3,4-dihydrochromen-3-yl) 2-amino-2-methylpropanoate

(2,2-dimethyl-3,4-dihydrochromen-3-yl) 2-amino-2-methylpropanoate (PubChem CID 175925706) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2,2-dimethyl-3,4-dihydrochromen-3-yl) 2-amino-2-methylpropanoate.

Molecular Properties

Compound Name(2,2-dimethyl-3,4-dihydrochromen-3-yl) 2-amino-2-methylpropanoate
PubChem CID175925706
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2,2-dimethyl-3,4-dihydrochromen-3-yl) 2-amino-2-methylpropanoate
SMILESCC(C)(N)C(=O)OC1Cc2ccccc2OC1(C)C
InChIInChI=1S/C15H21NO3/c1-14(2,16)13(17)18-12-9-10-7-5-6-8-11(10)19-15(12,3)4/h5-8,12H,9,16H2,1-4H3
InChIKeyNKCQTEMETWHVOI-UHFFFAOYSA-N
XLogP2.05
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanone
CID 172679993
3-(2,2-dimethyl-3,4-dihydrochromen-3-yl)prop-2-enoic acid
CID 91527429
methyl 3-[(2,2-dimethyl-3,4-dihydrochromen-3-yl)amino]propanoate
CID 54420076
spiro[4,5-dihydro-1,3-benzodioxepine-2,1'-cyclopentane]-4-ylmethyl 2,2-dimethylpropanoate
CID 118152710
methyl 3-[(2,2-dimethyl-3,4-dihydrochromen-3-yl)methylamino]propanoate
CID 54254889
methyl 2,3-dihydro-1-benzofuran-2-carboxylate;methyl 2-methyl-3H-1-benzofuran-2-carboxylate
CID 160696115
(3-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl) carbamate
CID 154161805
tert-butyl spiro[3H-1-benzofuran-2,4'-piperidine]-1'-carboxylate
CID 121418613
(2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) acetate
CID 24864690
[(3S)-6-acetyl-7-acetyloxy-2,2-dimethyl-3,4-dihydrochromen-3-yl] acetate
CID 139055913
methyl 2-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylpropanoate
CID 30886866
(3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97072881

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3,4-dihydrochromen-3-yl) 2-amino-2-methylpropanoate?
The IUPAC name of (2,2-dimethyl-3,4-dihydrochromen-3-yl) 2-amino-2-methylpropanoate (CID 175925706) is (2,2-dimethyl-3,4-dihydrochromen-3-yl) 2-amino-2-methylpropanoate.
What is the SMILES notation for (2,2-dimethyl-3,4-dihydrochromen-3-yl) 2-amino-2-methylpropanoate?
The canonical SMILES for (2,2-dimethyl-3,4-dihydrochromen-3-yl) 2-amino-2-methylpropanoate is CC(C)(N)C(=O)OC1Cc2ccccc2OC1(C)C.
What is the InChIKey of (2,2-dimethyl-3,4-dihydrochromen-3-yl) 2-amino-2-methylpropanoate?
The InChIKey is NKCQTEMETWHVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-14(2,16)13(17)18-12-9-10-7-5-6-8-11(10)19-15(12,3)4/h5-8,12H,9,16H2,1-4H3.
What are the key properties of (2,2-dimethyl-3,4-dihydrochromen-3-yl) 2-amino-2-methylpropanoate?
(2,2-dimethyl-3,4-dihydrochromen-3-yl) 2-amino-2-methylpropanoate has a molecular weight of 263.34 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3,4-dihydrochromen-3-yl) 2-amino-2-methylpropanoate is sourced from PubChem (CID 175925706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).