cis-ethyl (1R,2S)-1-[methoxy(methyl)carbamoyl]-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate

C17H23NO5 — CID 90322670

IUPACcis-ethyl (1R,2S)-1-[methoxy(methyl)carbamoyl]-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(C(=O)N(C)OC)C[C@@H]1COCc1ccccc1
InChIInChI=1S/C17H23NO5/c1-4-23-16(20)17(15(19)18(2)21-3)10-14(17)12-22-11-13-8-6-5-7-9-13/h5-9,14H,4,10-12H2,1-3H3/t14-,17-/m1/s1
InChIKeyLEZGSNVUEXTODR-RHSMWYFYSA-N
MW321.37 g/mol
LogP1.79
Rot. Bonds8

About cis-ethyl (1R,2S)-1-[methoxy(methyl)carbamoyl]-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate

cis-ethyl (1R,2S)-1-[methoxy(methyl)carbamoyl]-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate (PubChem CID 90322670) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is cis-ethyl (1R,2S)-1-[methoxy(methyl)carbamoyl]-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2S)-1-[methoxy(methyl)carbamoyl]-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
PubChem CID90322670
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Namecis-ethyl (1R,2S)-1-[methoxy(methyl)carbamoyl]-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(C(=O)N(C)OC)C[C@@H]1COCc1ccccc1
InChIInChI=1S/C17H23NO5/c1-4-23-16(20)17(15(19)18(2)21-3)10-14(17)12-22-11-13-8-6-5-7-9-13/h5-9,14H,4,10-12H2,1-3H3/t14-,17-/m1/s1
InChIKeyLEZGSNVUEXTODR-RHSMWYFYSA-N
XLogP1.79
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze cis-ethyl (1R,2S)-1-[methoxy(methyl)carbamoyl]-2-(phenylmethoxymethyl)cyclopropane-1-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

diethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate
CID 10946695
1-ethoxycarbonyl-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 85086376
carbon dioxide;cis-ethyl (1R,2S)-1-methyl-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate;trans-ethyl (1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 161093446
N-methoxy-N-methyl-1-phenylmethoxycyclopropane-1-carboxamide
CID 164919372
1-tert-butyl-N-methoxy-N-methyl-3-phenylmethoxycyclobutane-1-carboxamide
CID 146463485
ethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 166815122
cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 11470338
ethyl 1-(3-phenylmethoxypropyl)cyclopentane-1-carboxylate
CID 142267765
cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate
CID 25137557
ethyl 2-[[(4R,5R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methoxy]acetate
CID 102115642
4-ethoxycarbonyl-4-(phenylmethoxymethyl)piperidine-1-carboxylic acid
CID 154035201
ethyl 8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 58399380

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2S)-1-[methoxy(methyl)carbamoyl]-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2S)-1-[methoxy(methyl)carbamoyl]-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate (CID 90322670) is cis-ethyl (1R,2S)-1-[methoxy(methyl)carbamoyl]-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2S)-1-[methoxy(methyl)carbamoyl]-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2S)-1-[methoxy(methyl)carbamoyl]-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate is CCOC(=O)[C@]1(C(=O)N(C)OC)C[C@@H]1COCc1ccccc1.
What is the InChIKey of cis-ethyl (1R,2S)-1-[methoxy(methyl)carbamoyl]-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate?
The InChIKey is LEZGSNVUEXTODR-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-4-23-16(20)17(15(19)18(2)21-3)10-14(17)12-22-11-13-8-6-5-7-9-13/h5-9,14H,4,10-12H2,1-3H3/t14-,17-/m1/s1.
What are the key properties of cis-ethyl (1R,2S)-1-[methoxy(methyl)carbamoyl]-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate?
cis-ethyl (1R,2S)-1-[methoxy(methyl)carbamoyl]-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate has a molecular weight of 321.37 g/mol, XLogP of 1.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2S)-1-[methoxy(methyl)carbamoyl]-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 90322670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).