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

C15H21NO5 — CID 125142043

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

Analyze methyl 2-[3-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]carbamoyl]furan-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[3-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]carbamoyl]furan-2-yl]acetate
CID 125142042
N-[2-(hydroxymethyl)cyclohexyl]-2-methoxy-5-methylbenzamide
CID 106364492
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methoxybenzamide
CID 106358697
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-4-methoxybenzamide
CID 106361507
N-[2-(hydroxymethyl)cyclohexyl]-2-sulfanylbenzamide
CID 106367893
2-amino-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103951112
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
2-chloro-N-[2-(hydroxymethyl)cyclohexyl]-5-sulfanylbenzamide
CID 106367904
2-bromo-N-[2-(chloromethyl)cyclopentyl]furan-3-carboxamide
CID 106365773
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylfuran-3-carboxamide
CID 104927715
2-(2-aminoethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106361498
N-[2-(hydroxymethyl)cyclohexyl]-2-prop-2-enoxybenzamide
CID 106364464

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).