methyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate

C14H25NO3 — CID 80708543

IUPACmethyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate
SMILESCOC(=O)CN(CC1CCOCC1)C1CCCC1
InChIInChI=1S/C14H25NO3/c1-17-14(16)11-15(13-4-2-3-5-13)10-12-6-8-18-9-7-12/h12-13H,2-11H2,1H3
InChIKeyCJQDCZSRGMYESN-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.83
Rot. Bonds5

About methyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate

methyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate (PubChem CID 80708543) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate
PubChem CID80708543
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate
SMILESCOC(=O)CN(CC1CCOCC1)C1CCCC1
InChIInChI=1S/C14H25NO3/c1-17-14(16)11-15(13-4-2-3-5-13)10-12-6-8-18-9-7-12/h12-13H,2-11H2,1H3
InChIKeyCJQDCZSRGMYESN-UHFFFAOYSA-N
XLogP1.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[cyclopentyl(oxolan-3-ylmethyl)amino]acetate
CID 80708077
methyl 2-[oxan-4-yl(propyl)amino]acetate
CID 63937297
methyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]acetate
CID 79714267
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
CID 102677162
2-[cyclobutyl(oxan-4-ylmethyl)amino]ethanol
CID 102676607
methyl 2-[2-chloroprop-2-enyl(cyclopentyl)amino]acetate
CID 80710177
methyl 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetate
CID 80710059
methyl 2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetate
CID 80710178
methyl 3-(oxan-4-yl)propanoate
CID 55296577
methyl 3-[ethyl(oxan-4-yl)amino]propanoate
CID 63937112
methyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate
CID 103768668
2-[cyclopentyl(cyclopentylmethyl)amino]acetic acid
CID 61342644

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate (CID 80708543) is methyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate is COC(=O)CN(CC1CCOCC1)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate?
The InChIKey is CJQDCZSRGMYESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-17-14(16)11-15(13-4-2-3-5-13)10-12-6-8-18-9-7-12/h12-13H,2-11H2,1H3.
What are the key properties of methyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate?
methyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate has a molecular weight of 255.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl(oxan-4-ylmethyl)amino]acetate is sourced from PubChem (CID 80708543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).