ethyl 1-[(1S,2S)-1-carbamoyl-2-methylcyclopropyl]-5-(4-oxaspiro[2.5]octan-7-yl)indole-2-carboxylate

C23H28N2O4 — CID 177289005

IUPACethyl 1-[(1S,2S)-1-carbamoyl-2-methylcyclopropyl]-5-(4-oxaspiro[2.5]octan-7-yl)indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C3CCOC4(CC4)C3)ccc2n1[C@@]1(C(N)=O)C[C@@H]1C
InChIInChI=1S/C23H28N2O4/c1-3-28-20(26)19-11-17-10-15(16-6-9-29-22(13-16)7-8-22)4-5-18(17)25(19)23(21(24)27)12-14(23)2/h4-5,10-11,14,16H,3,6-9,12-13H2,1-2H3,(H2,24,27)/t14-,16?,23-/m0/s1
InChIKeyPKPXQCQMEOOTHM-DNEJQLMKSA-N
MW396.49 g/mol
LogP3.46
Rot. Bonds5

About ethyl 1-[(1S,2S)-1-carbamoyl-2-methylcyclopropyl]-5-(4-oxaspiro[2.5]octan-7-yl)indole-2-carboxylate

ethyl 1-[(1S,2S)-1-carbamoyl-2-methylcyclopropyl]-5-(4-oxaspiro[2.5]octan-7-yl)indole-2-carboxylate (PubChem CID 177289005) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is ethyl 1-[(1S,2S)-1-carbamoyl-2-methylcyclopropyl]-5-(4-oxaspiro[2.5]octan-7-yl)indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1S,2S)-1-carbamoyl-2-methylcyclopropyl]-5-(4-oxaspiro[2.5]octan-7-yl)indole-2-carboxylate
PubChem CID177289005
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Nameethyl 1-[(1S,2S)-1-carbamoyl-2-methylcyclopropyl]-5-(4-oxaspiro[2.5]octan-7-yl)indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C3CCOC4(CC4)C3)ccc2n1[C@@]1(C(N)=O)C[C@@H]1C
InChIInChI=1S/C23H28N2O4/c1-3-28-20(26)19-11-17-10-15(16-6-9-29-22(13-16)7-8-22)4-5-18(17)25(19)23(21(24)27)12-14(23)2/h4-5,10-11,14,16H,3,6-9,12-13H2,1-2H3,(H2,24,27)/t14-,16?,23-/m0/s1
InChIKeyPKPXQCQMEOOTHM-DNEJQLMKSA-N
XLogP3.46
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[(1S,2S)-1-carbamoyl-2-methylcyclopropyl]-5-(4-oxaspiro[2.5]octan-7-yl)indole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[(1R,2S)-1-(N'-hydroxycarbamimidoyl)-2-methylcyclopropyl]-5-[(7R)-4-oxaspiro[2.5]octan-7-yl]indole-2-carboxylate
CID 177288686
ethyl 1-[(1S,2S)-1-(5-hydroxy-2,5-dihydro-1,2,4-oxadiazol-3-yl)-2-methylcyclopropyl]-5-[(7S)-4-oxaspiro[2.5]octan-7-yl]indole-2-carboxylate
CID 177358965
ethyl 1-[(1S,2S)-2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]-5-(4-oxaspiro[2.5]octan-7-yl)indole-2-carboxylate
CID 177289025
ethyl 1-(1-carbamoylcyclopropyl)-5-(2,2-dimethyloxan-4-yl)indole-2-carboxylate
CID 167358634
ethyl 1-(cyanomethyl)-5-[(7S)-4-oxaspiro[2.5]octan-7-yl]indole-2-carboxylate
CID 177289077
ethyl 1-[1-[(Z)-N'-hydroxycarbamimidoyl]cyclobutyl]-5-(oxan-4-yl)indole-2-carboxylate
CID 166986443
ethyl 1-(1-cyanocyclobutyl)-5-(oxan-4-yl)indole-2-carboxylate
CID 162752472
ethyl 1-(cyanomethyl)-5-(oxan-4-yl)indole-2-carboxylate
CID 156821165
ethyl 1-cyclopropylsulfonyl-5-(oxan-4-yl)indole-2-carboxylate
CID 178096391
ethyl 1-[(1S,2S)-1-[1-amino-2-(hydroxyamino)-2-methylpropyl]-2-methylcyclopropyl]-5-[(4R)-2,2-dimethyloxan-4-yl]-7-fluoroindole-2-carboxylate
CID 177288989
5-[(2S)-2-methyloxan-4-yl]-1-[(1S,2S)-2-methyl-1-(5-oxo-4H-1,2,4-oxadiazol-3-yl)cyclopropyl]indole-2-carboxylic acid
CID 170528971
ethyl 1-(1,9-dioxaspiro[5.5]undecan-4-yl)tetrazole-5-carboxylate
CID 79907353

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1S,2S)-1-carbamoyl-2-methylcyclopropyl]-5-(4-oxaspiro[2.5]octan-7-yl)indole-2-carboxylate?
The IUPAC name of ethyl 1-[(1S,2S)-1-carbamoyl-2-methylcyclopropyl]-5-(4-oxaspiro[2.5]octan-7-yl)indole-2-carboxylate (CID 177289005) is ethyl 1-[(1S,2S)-1-carbamoyl-2-methylcyclopropyl]-5-(4-oxaspiro[2.5]octan-7-yl)indole-2-carboxylate.
What is the SMILES notation for ethyl 1-[(1S,2S)-1-carbamoyl-2-methylcyclopropyl]-5-(4-oxaspiro[2.5]octan-7-yl)indole-2-carboxylate?
The canonical SMILES for ethyl 1-[(1S,2S)-1-carbamoyl-2-methylcyclopropyl]-5-(4-oxaspiro[2.5]octan-7-yl)indole-2-carboxylate is CCOC(=O)c1cc2cc(C3CCOC4(CC4)C3)ccc2n1[C@@]1(C(N)=O)C[C@@H]1C.
What is the InChIKey of ethyl 1-[(1S,2S)-1-carbamoyl-2-methylcyclopropyl]-5-(4-oxaspiro[2.5]octan-7-yl)indole-2-carboxylate?
The InChIKey is PKPXQCQMEOOTHM-DNEJQLMKSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-3-28-20(26)19-11-17-10-15(16-6-9-29-22(13-16)7-8-22)4-5-18(17)25(19)23(21(24)27)12-14(23)2/h4-5,10-11,14,16H,3,6-9,12-13H2,1-2H3,(H2,24,27)/t14-,16?,23-/m0/s1.
What are the key properties of ethyl 1-[(1S,2S)-1-carbamoyl-2-methylcyclopropyl]-5-(4-oxaspiro[2.5]octan-7-yl)indole-2-carboxylate?
ethyl 1-[(1S,2S)-1-carbamoyl-2-methylcyclopropyl]-5-(4-oxaspiro[2.5]octan-7-yl)indole-2-carboxylate has a molecular weight of 396.49 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1S,2S)-1-carbamoyl-2-methylcyclopropyl]-5-(4-oxaspiro[2.5]octan-7-yl)indole-2-carboxylate is sourced from PubChem (CID 177289005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).