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Methyl 2-[3-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]carbamoyl]furan-2-yl]acetate

C15H21NO5 — CID 125142043

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmethyl 2-[3-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]carbamoyl]furan-2-yl]acetate
SMILESCOC(=O)Cc1occc1C(=O)N[C@H]1CCCC[C@@H]1CO
InChIInChI=1S/C15H21NO5/c1-20-14(18)8-13-11(6-7-21-13)15(19)16-12-5-3-2-4-10(12)9-17/h6-7,10,12,17H,2-5,8-9H2,1H3,(H,16,19)/t10-,12+/m1/s1
InChIKeyHHORBBAAWYEZOR-PWSUYJOCSA-N
MW295.33 g/mol
LogP1.28
Rot. Bonds5

About Methyl 2-[3-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]carbamoyl]furan-2-yl]acetate

Methyl 2-[3-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]carbamoyl]furan-2-yl]acetate (PubChem CID 125142043) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is methyl 2-[3-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]carbamoyl]furan-2-yl]acetate.

Molecular Properties

Compound NameMethyl 2-[3-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]carbamoyl]furan-2-yl]acetate
PubChem CID125142043
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Namemethyl 2-[3-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]carbamoyl]furan-2-yl]acetate
SMILESCOC(=O)Cc1occc1C(=O)N[C@H]1CCCC[C@@H]1CO
InChIInChI=1S/C15H21NO5/c1-20-14(18)8-13-11(6-7-21-13)15(19)16-12-5-3-2-4-10(12)9-17/h6-7,10,12,17H,2-5,8-9H2,1H3,(H,16,19)/t10-,12+/m1/s1
InChIKeyHHORBBAAWYEZOR-PWSUYJOCSA-N
XLogP1.28
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of Methyl 2-[3-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]carbamoyl]furan-2-yl]acetate?
The IUPAC name of Methyl 2-[3-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]carbamoyl]furan-2-yl]acetate (CID 125142043) is methyl 2-[3-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]carbamoyl]furan-2-yl]acetate.
What is the SMILES notation for Methyl 2-[3-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]carbamoyl]furan-2-yl]acetate?
The canonical SMILES for Methyl 2-[3-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]carbamoyl]furan-2-yl]acetate is COC(=O)Cc1occc1C(=O)N[C@H]1CCCC[C@@H]1CO.
What is the InChIKey of Methyl 2-[3-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]carbamoyl]furan-2-yl]acetate?
The InChIKey is HHORBBAAWYEZOR-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H21NO5/c1-20-14(18)8-13-11(6-7-21-13)15(19)16-12-5-3-2-4-10(12)9-17/h6-7,10,12,17H,2-5,8-9H2,1H3,(H,16,19)/t10-,12+/m1/s1.
What are the key properties of Methyl 2-[3-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]carbamoyl]furan-2-yl]acetate?
Methyl 2-[3-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]carbamoyl]furan-2-yl]acetate has a molecular weight of 295.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 2-[3-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]carbamoyl]furan-2-yl]acetate is sourced from PubChem (CID 125142043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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