7b-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1a,2-dihydro-1H-cyclopropa[c]chromene-4-carboxylic acid

C17H21NO5 — CID 90071843

IUPAC7b-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1a,2-dihydro-1H-cyclopropa[c]chromene-4-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1C(=O)O)OCC1CC21C
InChIInChI=1S/C17H21NO5/c1-16(2,3)23-15(21)18-11-6-5-10-13(12(11)14(19)20)22-8-9-7-17(9,10)4/h5-6,9H,7-8H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyCXHCDNNXZGFTBB-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.40
Rot. Bonds2

About 7b-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1a,2-dihydro-1H-cyclopropa[c]chromene-4-carboxylic acid

7b-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1a,2-dihydro-1H-cyclopropa[c]chromene-4-carboxylic acid (PubChem CID 90071843) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is 7b-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1a,2-dihydro-1H-cyclopropa[c]chromene-4-carboxylic acid.

Molecular Properties

Compound Name7b-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1a,2-dihydro-1H-cyclopropa[c]chromene-4-carboxylic acid
PubChem CID90071843
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Name7b-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1a,2-dihydro-1H-cyclopropa[c]chromene-4-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccc2c(c1C(=O)O)OCC1CC21C
InChIInChI=1S/C17H21NO5/c1-16(2,3)23-15(21)18-11-6-5-10-13(12(11)14(19)20)22-8-9-7-17(9,10)4/h5-6,9H,7-8H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyCXHCDNNXZGFTBB-UHFFFAOYSA-N
XLogP3.40
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7b-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1a,2-dihydro-1H-cyclopropa[c]chromene-4-carboxylic acid with MolForge

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Related Compounds

5-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1,4-benzodioxine-8-carboxylic acid
CID 156860553
CID 168977146
CID 168977146
3-bromo-2-fluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 130755266
tert-butyl N-(7-bromo-1,3-benzodioxol-4-yl)carbamate
CID 166541090
tert-butyl N-(2,2-dimethyl-3H-1-benzofuran-7-yl)carbamate
CID 69419090
tert-butyl N-[4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 53486918
tert-butyl N-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 13007804
tert-butyl N-(2-oxo-3-oxabicyclo[3.1.0]hexan-1-yl)carbamate
CID 14682639
3-fluoro-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 165144923
tert-butyl N-[4-methoxy-2-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate
CID 107239723
tert-butyl N-([1,3]dioxolo[4,5-b]pyridin-7-yl)carbamate
CID 68546563
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-nitrobenzoic acid
CID 18405577

Frequently Asked Questions

What is the IUPAC name of 7b-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1a,2-dihydro-1H-cyclopropa[c]chromene-4-carboxylic acid?
The IUPAC name of 7b-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1a,2-dihydro-1H-cyclopropa[c]chromene-4-carboxylic acid (CID 90071843) is 7b-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1a,2-dihydro-1H-cyclopropa[c]chromene-4-carboxylic acid.
What is the SMILES notation for 7b-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1a,2-dihydro-1H-cyclopropa[c]chromene-4-carboxylic acid?
The canonical SMILES for 7b-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1a,2-dihydro-1H-cyclopropa[c]chromene-4-carboxylic acid is CC(C)(C)OC(=O)Nc1ccc2c(c1C(=O)O)OCC1CC21C.
What is the InChIKey of 7b-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1a,2-dihydro-1H-cyclopropa[c]chromene-4-carboxylic acid?
The InChIKey is CXHCDNNXZGFTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-16(2,3)23-15(21)18-11-6-5-10-13(12(11)14(19)20)22-8-9-7-17(9,10)4/h5-6,9H,7-8H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of 7b-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1a,2-dihydro-1H-cyclopropa[c]chromene-4-carboxylic acid?
7b-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1a,2-dihydro-1H-cyclopropa[c]chromene-4-carboxylic acid has a molecular weight of 319.36 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7b-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1a,2-dihydro-1H-cyclopropa[c]chromene-4-carboxylic acid is sourced from PubChem (CID 90071843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).