4-chloro-8-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxylic acid

C18H21ClN2O5 — CID 118071520

IUPAC4-chloro-8-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCc1c(C(=O)O)[nH]c2cc(Cl)c3c(c12)CCO3
InChIInChI=1S/C18H21ClN2O5/c1-18(2,3)26-17(24)20-6-4-9-13-10-5-7-25-15(10)11(19)8-12(13)21-14(9)16(22)23/h8,21H,4-7H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyUEPDSWFHHSZHPC-UHFFFAOYSA-N
MW380.83 g/mol
LogP3.52
Rot. Bonds4

About 4-chloro-8-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxylic acid

4-chloro-8-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxylic acid (PubChem CID 118071520) has the molecular formula C18H21ClN2O5 and a molecular weight of 380.83 g/mol. Its IUPAC name is 4-chloro-8-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxylic acid.

Molecular Properties

Compound Name4-chloro-8-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxylic acid
PubChem CID118071520
Molecular FormulaC18H21ClN2O5
Molecular Weight380.83 g/mol
Exact Mass380.11
IUPAC Name4-chloro-8-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxylic acid
SMILESCC(C)(C)OC(=O)NCCc1c(C(=O)O)[nH]c2cc(Cl)c3c(c12)CCO3
InChIInChI=1S/C18H21ClN2O5/c1-18(2,3)26-17(24)20-6-4-9-13-10-5-7-25-15(10)11(19)8-12(13)21-14(9)16(22)23/h8,21H,4-7H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyUEPDSWFHHSZHPC-UHFFFAOYSA-N
XLogP3.52
TPSA100.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-5-methoxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indole-2-carboxylic acid
CID 118074756
2-[8-chloro-6-(methylcarbamoyl)-3,5-dihydro-2H-furo[2,3-f]indol-7-yl]ethylcarbamic acid
CID 118071580
tert-butyl N-[2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]carbamate
CID 142473011
2-(3,5-dimethylphenyl)-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indole-5-carboxylic acid
CID 22120674
3-fluoro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid
CID 121396817
tert-butyl N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]carbamate
CID 102125235
3-chloro-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
CID 22027774
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid
CID 67426969
tert-butyl N-[2-[2-(ethylcarbamoyl)-5-methoxy-1H-indol-3-yl]ethyl]carbamate
CID 118248881
tert-butyl N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 171336753
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]-1H-indole-2-carboxylic acid
CID 169468300
tert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 77231283

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxylic acid?
The IUPAC name of 4-chloro-8-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxylic acid (CID 118071520) is 4-chloro-8-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxylic acid.
What is the SMILES notation for 4-chloro-8-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxylic acid?
The canonical SMILES for 4-chloro-8-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxylic acid is CC(C)(C)OC(=O)NCCc1c(C(=O)O)[nH]c2cc(Cl)c3c(c12)CCO3.
What is the InChIKey of 4-chloro-8-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxylic acid?
The InChIKey is UEPDSWFHHSZHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O5/c1-18(2,3)26-17(24)20-6-4-9-13-10-5-7-25-15(10)11(19)8-12(13)21-14(9)16(22)23/h8,21H,4-7H2,1-3H3,(H,20,24)(H,22,23).
What are the key properties of 4-chloro-8-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxylic acid?
4-chloro-8-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxylic acid has a molecular weight of 380.83 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,6-dihydro-1H-furo[3,2-e]indole-7-carboxylic acid is sourced from PubChem (CID 118071520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).