methyl 1-[(1-carbamoylcyclopropyl)carbamoyl]-2,3-dihydroindole-2-carboxylate

C15H17N3O4 — CID 167857956

IUPACmethyl 1-[(1-carbamoylcyclopropyl)carbamoyl]-2,3-dihydroindole-2-carboxylate
SMILESCOC(=O)C1Cc2ccccc2N1C(=O)NC1(C(N)=O)CC1
InChIInChI=1S/C15H17N3O4/c1-22-12(19)11-8-9-4-2-3-5-10(9)18(11)14(21)17-15(6-7-15)13(16)20/h2-5,11H,6-8H2,1H3,(H2,16,20)(H,17,21)
InChIKeyOGJNKRWUKKTVQP-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.32
Rot. Bonds3

About methyl 1-[(1-carbamoylcyclopropyl)carbamoyl]-2,3-dihydroindole-2-carboxylate

methyl 1-[(1-carbamoylcyclopropyl)carbamoyl]-2,3-dihydroindole-2-carboxylate (PubChem CID 167857956) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is methyl 1-[(1-carbamoylcyclopropyl)carbamoyl]-2,3-dihydroindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(1-carbamoylcyclopropyl)carbamoyl]-2,3-dihydroindole-2-carboxylate
PubChem CID167857956
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Namemethyl 1-[(1-carbamoylcyclopropyl)carbamoyl]-2,3-dihydroindole-2-carboxylate
SMILESCOC(=O)C1Cc2ccccc2N1C(=O)NC1(C(N)=O)CC1
InChIInChI=1S/C15H17N3O4/c1-22-12(19)11-8-9-4-2-3-5-10(9)18(11)14(21)17-15(6-7-15)13(16)20/h2-5,11H,6-8H2,1H3,(H2,16,20)(H,17,21)
InChIKeyOGJNKRWUKKTVQP-UHFFFAOYSA-N
XLogP0.32
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 1-[(1-carbamoylcyclopropyl)carbamoyl]-2,3-dihydroindole-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

1-O-tert-butyl 2-O-methyl (2S)-2,3-dihydroindole-1,2-dicarboxylate
CID 7169783
methyl (2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylate;hydrate
CID 86585807
methyl (2R)-1-(4-methoxycarbonylbenzoyl)-2,3-dihydroindole-2-carboxylate
CID 95593895
methyl 1-[2-(1,1-dioxothiolan-3-yl)acetyl]-2,3-dihydroindole-2-carboxylate
CID 56801777
methyl (2S)-1-(2,6-dimethylpyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate
CID 95762876
methyl (2S)-1-(2-methoxy-2-oxoethyl)-2,3-dihydroindole-2-carboxylate
CID 100944786
(2S)-1-N-benzyl-2,3-dihydroindole-1,2-dicarboxamide
CID 41429200
methyl (2R)-1-[2-(4-bromophenoxy)acetyl]-2,3-dihydroindole-2-carboxylate
CID 52504702
methyl 1-(5-ethoxycarbonyl-2-phenyl-3,4-dihydropyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylate
CID 56556561
methyl (2S)-1-[2-(2-methylbenzimidazol-1-yl)acetyl]-2,3-dihydroindole-2-carboxylate
CID 95161925
methyl (2S)-1-(1-phenylpyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylate
CID 95345888
methyl 1-[1-(2-methylpropyl)pyrazole-4-carbonyl]-2,3-dihydroindole-2-carboxylate
CID 86786576

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(1-carbamoylcyclopropyl)carbamoyl]-2,3-dihydroindole-2-carboxylate?
The IUPAC name of methyl 1-[(1-carbamoylcyclopropyl)carbamoyl]-2,3-dihydroindole-2-carboxylate (CID 167857956) is methyl 1-[(1-carbamoylcyclopropyl)carbamoyl]-2,3-dihydroindole-2-carboxylate.
What is the SMILES notation for methyl 1-[(1-carbamoylcyclopropyl)carbamoyl]-2,3-dihydroindole-2-carboxylate?
The canonical SMILES for methyl 1-[(1-carbamoylcyclopropyl)carbamoyl]-2,3-dihydroindole-2-carboxylate is COC(=O)C1Cc2ccccc2N1C(=O)NC1(C(N)=O)CC1.
What is the InChIKey of methyl 1-[(1-carbamoylcyclopropyl)carbamoyl]-2,3-dihydroindole-2-carboxylate?
The InChIKey is OGJNKRWUKKTVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-22-12(19)11-8-9-4-2-3-5-10(9)18(11)14(21)17-15(6-7-15)13(16)20/h2-5,11H,6-8H2,1H3,(H2,16,20)(H,17,21).
What are the key properties of methyl 1-[(1-carbamoylcyclopropyl)carbamoyl]-2,3-dihydroindole-2-carboxylate?
methyl 1-[(1-carbamoylcyclopropyl)carbamoyl]-2,3-dihydroindole-2-carboxylate has a molecular weight of 303.32 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(1-carbamoylcyclopropyl)carbamoyl]-2,3-dihydroindole-2-carboxylate is sourced from PubChem (CID 167857956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).