methyl 2-[ethyl-[(1-hydroxycyclopentyl)methyl]amino]acetate

C11H21NO3 — CID 65213036

IUPACmethyl 2-[ethyl-[(1-hydroxycyclopentyl)methyl]amino]acetate
SMILESCCN(CC(=O)OC)CC1(O)CCCC1
InChIInChI=1S/C11H21NO3/c1-3-12(8-10(13)15-2)9-11(14)6-4-5-7-11/h14H,3-9H2,1-2H3
InChIKeyXNCWSQNSXSZJED-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.79
Rot. Bonds5

About methyl 2-[ethyl-[(1-hydroxycyclopentyl)methyl]amino]acetate

methyl 2-[ethyl-[(1-hydroxycyclopentyl)methyl]amino]acetate (PubChem CID 65213036) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2-[ethyl-[(1-hydroxycyclopentyl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-[(1-hydroxycyclopentyl)methyl]amino]acetate
PubChem CID65213036
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2-[ethyl-[(1-hydroxycyclopentyl)methyl]amino]acetate
SMILESCCN(CC(=O)OC)CC1(O)CCCC1
InChIInChI=1S/C11H21NO3/c1-3-12(8-10(13)15-2)9-11(14)6-4-5-7-11/h14H,3-9H2,1-2H3
InChIKeyXNCWSQNSXSZJED-UHFFFAOYSA-N
XLogP0.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-[(1-hydroxycyclopentyl)methyl]amino]acetate?
The IUPAC name of methyl 2-[ethyl-[(1-hydroxycyclopentyl)methyl]amino]acetate (CID 65213036) is methyl 2-[ethyl-[(1-hydroxycyclopentyl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-[(1-hydroxycyclopentyl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[ethyl-[(1-hydroxycyclopentyl)methyl]amino]acetate is CCN(CC(=O)OC)CC1(O)CCCC1.
What is the InChIKey of methyl 2-[ethyl-[(1-hydroxycyclopentyl)methyl]amino]acetate?
The InChIKey is XNCWSQNSXSZJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-12(8-10(13)15-2)9-11(14)6-4-5-7-11/h14H,3-9H2,1-2H3.
What are the key properties of methyl 2-[ethyl-[(1-hydroxycyclopentyl)methyl]amino]acetate?
methyl 2-[ethyl-[(1-hydroxycyclopentyl)methyl]amino]acetate has a molecular weight of 215.29 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-[(1-hydroxycyclopentyl)methyl]amino]acetate is sourced from PubChem (CID 65213036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).