cis-methyl (1S,2R)-2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxylate

C13H19NO3 — CID 129432511

IUPACcis-methyl (1S,2R)-2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CCC[C@H]1NCc1ccc(C)o1
InChIInChI=1S/C13H19NO3/c1-9-6-7-10(17-9)8-14-12-5-3-4-11(12)13(15)16-2/h6-7,11-12,14H,3-5,8H2,1-2H3/t11-,12+/m0/s1
InChIKeyDODIDWUMCFJTLM-NWDGAFQWSA-N
MW237.30 g/mol
LogP2.02
Rot. Bonds4

About cis-methyl (1S,2R)-2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxylate

cis-methyl (1S,2R)-2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxylate (PubChem CID 129432511) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is cis-methyl (1S,2R)-2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,2R)-2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxylate
PubChem CID129432511
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namecis-methyl (1S,2R)-2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CCC[C@H]1NCc1ccc(C)o1
InChIInChI=1S/C13H19NO3/c1-9-6-7-10(17-9)8-14-12-5-3-4-11(12)13(15)16-2/h6-7,11-12,14H,3-5,8H2,1-2H3/t11-,12+/m0/s1
InChIKeyDODIDWUMCFJTLM-NWDGAFQWSA-N
XLogP2.02
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,2R)-2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1S,2R)-2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxylate (CID 129432511) is cis-methyl (1S,2R)-2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,2R)-2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,2R)-2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxylate is COC(=O)[C@H]1CCC[C@H]1NCc1ccc(C)o1.
What is the InChIKey of cis-methyl (1S,2R)-2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxylate?
The InChIKey is DODIDWUMCFJTLM-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-6-7-10(17-9)8-14-12-5-3-4-11(12)13(15)16-2/h6-7,11-12,14H,3-5,8H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of cis-methyl (1S,2R)-2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxylate?
cis-methyl (1S,2R)-2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,2R)-2-[(5-methylfuran-2-yl)methylamino]cyclopentane-1-carboxylate is sourced from PubChem (CID 129432511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).