1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid

C14H17NO4 — CID 19697750

IUPAC1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C14H17NO4/c1-14(2,3)19-13(18)15-8-10(12(16)17)9-6-4-5-7-11(9)15/h4-7,10H,8H2,1-3H3,(H,16,17)
InChIKeyMVCIMEGPCAVHOK-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.61
Rot. Bonds1

About 1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid

1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 19697750) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID19697750
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C14H17NO4/c1-14(2,3)19-13(18)15-8-10(12(16)17)9-6-4-5-7-11(9)15/h4-7,10H,8H2,1-3H3,(H,16,17)
InChIKeyMVCIMEGPCAVHOK-UHFFFAOYSA-N
XLogP2.61
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid (CID 19697750) is 1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid is CC(C)(C)OC(=O)N1CC(C(=O)O)c2ccccc21.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is MVCIMEGPCAVHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-14(2,3)19-13(18)15-8-10(12(16)17)9-6-4-5-7-11(9)15/h4-7,10H,8H2,1-3H3,(H,16,17).
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid?
1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 19697750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).