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

C11H19NO3 — CID 68561965

IUPACtrans-ethyl (1R,2R)-2-[methyl(propyl)carbamoyl]cyclopropane-1-carboxylate
SMILESCCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)OCC
InChIInChI=1S/C11H19NO3/c1-4-6-12(3)10(13)8-7-9(8)11(14)15-5-2/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyHJZYGOMDWQKQFW-RKDXNWHRSA-N
MW213.28 g/mol
LogP1.05
Rot. Bonds5

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

trans-ethyl (1R,2R)-2-[methyl(propyl)carbamoyl]cyclopropane-1-carboxylate (PubChem CID 68561965) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is trans-ethyl (1R,2R)-2-[methyl(propyl)carbamoyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2R)-2-[methyl(propyl)carbamoyl]cyclopropane-1-carboxylate
PubChem CID68561965
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametrans-ethyl (1R,2R)-2-[methyl(propyl)carbamoyl]cyclopropane-1-carboxylate
SMILESCCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)OCC
InChIInChI=1S/C11H19NO3/c1-4-6-12(3)10(13)8-7-9(8)11(14)15-5-2/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyHJZYGOMDWQKQFW-RKDXNWHRSA-N
XLogP1.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2R)-2-[methyl(propyl)carbamoyl]cyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2R)-2-[methyl(propyl)carbamoyl]cyclopropane-1-carboxylate (CID 68561965) is trans-ethyl (1R,2R)-2-[methyl(propyl)carbamoyl]cyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2R)-2-[methyl(propyl)carbamoyl]cyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,2R)-2-[methyl(propyl)carbamoyl]cyclopropane-1-carboxylate is CCCN(C)C(=O)[C@@H]1C[C@H]1C(=O)OCC.
What is the InChIKey of trans-ethyl (1R,2R)-2-[methyl(propyl)carbamoyl]cyclopropane-1-carboxylate?
The InChIKey is HJZYGOMDWQKQFW-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-6-12(3)10(13)8-7-9(8)11(14)15-5-2/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of trans-ethyl (1R,2R)-2-[methyl(propyl)carbamoyl]cyclopropane-1-carboxylate?
trans-ethyl (1R,2R)-2-[methyl(propyl)carbamoyl]cyclopropane-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1R,2R)-2-[methyl(propyl)carbamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 68561965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).