trans-ethyl (1R,2R)-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylate

C9H15NO4 — CID 91198295

IUPACtrans-ethyl (1R,2R)-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1C(=O)N(C)OC
InChIInChI=1S/C9H15NO4/c1-4-14-9(12)7-5-6(7)8(11)10(2)13-3/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyMSRXFCJNCFGKSO-RNFRBKRXSA-N
MW201.22 g/mol
LogP0.21
Rot. Bonds4

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

trans-ethyl (1R,2R)-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylate (PubChem CID 91198295) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is trans-ethyl (1R,2R)-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2R)-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylate
PubChem CID91198295
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Nametrans-ethyl (1R,2R)-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@H]1C(=O)N(C)OC
InChIInChI=1S/C9H15NO4/c1-4-14-9(12)7-5-6(7)8(11)10(2)13-3/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyMSRXFCJNCFGKSO-RNFRBKRXSA-N
XLogP0.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2R)-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2R)-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylate (CID 91198295) is trans-ethyl (1R,2R)-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2R)-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,2R)-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylate is CCOC(=O)[C@@H]1C[C@H]1C(=O)N(C)OC.
What is the InChIKey of trans-ethyl (1R,2R)-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylate?
The InChIKey is MSRXFCJNCFGKSO-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H15NO4/c1-4-14-9(12)7-5-6(7)8(11)10(2)13-3/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1.
What are the key properties of trans-ethyl (1R,2R)-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylate?
trans-ethyl (1R,2R)-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylate has a molecular weight of 201.22 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1R,2R)-2-[methoxy(methyl)carbamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 91198295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).