6-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid

C16H21NO5 — CID 103718921

IUPAC6-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
SMILESCOc1ccc2c(c1)C(NC(=O)OC(C)(C)C)(C(=O)O)CC2
InChIInChI=1S/C16H21NO5/c1-15(2,3)22-14(20)17-16(13(18)19)8-7-10-5-6-11(21-4)9-12(10)16/h5-6,9H,7-8H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyXKQYGQYSVMPPHI-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.45
Rot. Bonds3

About 6-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid

6-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid (PubChem CID 103718921) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 6-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
PubChem CID103718921
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name6-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
SMILESCOc1ccc2c(c1)C(NC(=O)OC(C)(C)C)(C(=O)O)CC2
InChIInChI=1S/C16H21NO5/c1-15(2,3)22-14(20)17-16(13(18)19)8-7-10-5-6-11(21-4)9-12(10)16/h5-6,9H,7-8H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyXKQYGQYSVMPPHI-UHFFFAOYSA-N
XLogP2.45
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 138110145
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 2733195
(1R)-5-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 138109460
2-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6-dihydrocyclopenta[b]pyridine-7-carboxylic acid
CID 118482775
6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylic acid
CID 79374970
tert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate
CID 91387270
5-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid
CID 138110706
1-(cyclopentylamino)-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 79235885
2-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 165446641
6-methoxy-1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxamide
CID 79374237
tert-butyl N-[1-[amino-(3-methoxyphenyl)methyl]cyclopropyl]carbamate
CID 115052979
1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 70241546

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 6-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid (CID 103718921) is 6-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 6-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 6-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid is COc1ccc2c(c1)C(NC(=O)OC(C)(C)C)(C(=O)O)CC2.
What is the InChIKey of 6-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is XKQYGQYSVMPPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-15(2,3)22-14(20)17-16(13(18)19)8-7-10-5-6-11(21-4)9-12(10)16/h5-6,9H,7-8H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 6-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid?
6-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 103718921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).