methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate

C14H19NO5 — CID 80708462

IUPACmethyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate
SMILESCOC(=O)CN(Cc1cc(=O)c(O)co1)C1CCCC1
InChIInChI=1S/C14H19NO5/c1-19-14(18)8-15(10-4-2-3-5-10)7-11-6-12(16)13(17)9-20-11/h6,9-10,17H,2-5,7-8H2,1H3
InChIKeyNBZDRVIYGNABDG-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.26
Rot. Bonds5

About methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate

methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate (PubChem CID 80708462) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate
PubChem CID80708462
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namemethyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate
SMILESCOC(=O)CN(Cc1cc(=O)c(O)co1)C1CCCC1
InChIInChI=1S/C14H19NO5/c1-19-14(18)8-15(10-4-2-3-5-10)7-11-6-12(16)13(17)9-20-11/h6,9-10,17H,2-5,7-8H2,1H3
InChIKeyNBZDRVIYGNABDG-UHFFFAOYSA-N
XLogP1.26
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[cyclopentyl-[(4-fluorophenyl)methyl]amino]acetate
CID 79006293
methyl 2-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl-cyclopentylamino]acetate
CID 115536867
methyl 2-[cyclopentyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate
CID 80709119
methyl 2-[(2-chloro-4-fluorophenyl)methyl-cyclopentylamino]acetate
CID 80709366
methyl 2-[cyclopentyl-[(2,4-dichloro-6-methyl-3-pyridinyl)methyl]amino]acetate
CID 115536709
methyl 2-[cyclopentyl-[(3-methylimidazol-4-yl)methyl]amino]acetate
CID 80709036
methyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate
CID 80708543
methyl 2-[cyclopentyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetate
CID 80710052
2-[[(2-cyclopropyl-2-hydroxyethyl)-methylamino]methyl]-5-hydroxypyran-4-one
CID 111858927
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
CID 102677162
5-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]pyran-4-one
CID 60683914
methyl 2-[2-chloroprop-2-enyl(cyclopentyl)amino]acetate
CID 80710177

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate (CID 80708462) is methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate is COC(=O)CN(Cc1cc(=O)c(O)co1)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate?
The InChIKey is NBZDRVIYGNABDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-19-14(18)8-15(10-4-2-3-5-10)7-11-6-12(16)13(17)9-20-11/h6,9-10,17H,2-5,7-8H2,1H3.
What are the key properties of methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate?
methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate has a molecular weight of 281.31 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl-[(5-hydroxy-4-oxopyran-2-yl)methyl]amino]acetate is sourced from PubChem (CID 80708462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).