methyl 2-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methylamino]acetate

C11H19NO3 — CID 165450852

IUPACmethyl 2-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methylamino]acetate
SMILESCOC(=O)CNC[C@]12CCC[C@H]1OCC2
InChIInChI=1S/C11H19NO3/c1-14-10(13)7-12-8-11-4-2-3-9(11)15-6-5-11/h9,12H,2-8H2,1H3/t9-,11-/m1/s1
InChIKeyGMTDNJIOFUMUGZ-MWLCHTKSSA-N
MW213.28 g/mol
LogP0.71
Rot. Bonds4

About methyl 2-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methylamino]acetate

methyl 2-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methylamino]acetate (PubChem CID 165450852) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 2-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methylamino]acetate
PubChem CID165450852
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 2-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methylamino]acetate
SMILESCOC(=O)CNC[C@]12CCC[C@H]1OCC2
InChIInChI=1S/C11H19NO3/c1-14-10(13)7-12-8-11-4-2-3-9(11)15-6-5-11/h9,12H,2-8H2,1H3/t9-,11-/m1/s1
InChIKeyGMTDNJIOFUMUGZ-MWLCHTKSSA-N
XLogP0.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methylamino]acetate with MolForge

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Related Compounds

methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate
CID 115359540
methyl 2-[[(2R)-oxolan-2-yl]methylamino]acetate
CID 28585559
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate
CID 81411374
2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-ylmethanamine
CID 126827532
(3aR,6aS)-3a-(bromomethyl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 125455786
1-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-[3-(methanesulfonamido)cyclobutyl]-1-methylurea
CID 138010322
N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 136586822
N-[[(3aS,6aS)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-(furan-2-yl)propanamide
CID 164632647
methyl 2-(1,3-dioxan-2-yl)acetate
CID 59252297
methyl 2-(2-cyclopentylethylamino)acetate
CID 60919844
N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-4,7-difluoro-2,3-dihydroindole-1-carboxamide
CID 167899844
methyl 2-[1-(2-methoxy-2-oxoethyl)-3-methylcyclohexyl]acetate
CID 101326115

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methylamino]acetate?
The IUPAC name of methyl 2-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methylamino]acetate (CID 165450852) is methyl 2-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methylamino]acetate.
What is the SMILES notation for methyl 2-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methylamino]acetate?
The canonical SMILES for methyl 2-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methylamino]acetate is COC(=O)CNC[C@]12CCC[C@H]1OCC2.
What is the InChIKey of methyl 2-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methylamino]acetate?
The InChIKey is GMTDNJIOFUMUGZ-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H19NO3/c1-14-10(13)7-12-8-11-4-2-3-9(11)15-6-5-11/h9,12H,2-8H2,1H3/t9-,11-/m1/s1.
What are the key properties of methyl 2-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methylamino]acetate?
methyl 2-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methylamino]acetate has a molecular weight of 213.28 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methylamino]acetate is sourced from PubChem (CID 165450852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).