propan-2-yl 2-[[2-(aminomethyl)cyclopentyl]methoxy]acetate

C12H23NO3 — CID 106940308

IUPACpropan-2-yl 2-[[2-(aminomethyl)cyclopentyl]methoxy]acetate
SMILESCC(C)OC(=O)COCC1CCCC1CN
InChIInChI=1S/C12H23NO3/c1-9(2)16-12(14)8-15-7-11-5-3-4-10(11)6-13/h9-11H,3-8,13H2,1-2H3
InChIKeyCTWOUWKDPSMDME-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.33
Rot. Bonds6

About propan-2-yl 2-[[2-(aminomethyl)cyclopentyl]methoxy]acetate

propan-2-yl 2-[[2-(aminomethyl)cyclopentyl]methoxy]acetate (PubChem CID 106940308) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is propan-2-yl 2-[[2-(aminomethyl)cyclopentyl]methoxy]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[2-(aminomethyl)cyclopentyl]methoxy]acetate
PubChem CID106940308
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namepropan-2-yl 2-[[2-(aminomethyl)cyclopentyl]methoxy]acetate
SMILESCC(C)OC(=O)COCC1CCCC1CN
InChIInChI=1S/C12H23NO3/c1-9(2)16-12(14)8-15-7-11-5-3-4-10(11)6-13/h9-11H,3-8,13H2,1-2H3
InChIKeyCTWOUWKDPSMDME-UHFFFAOYSA-N
XLogP1.33
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[2-(aminomethyl)cyclopentyl]methoxy]acetate?
The IUPAC name of propan-2-yl 2-[[2-(aminomethyl)cyclopentyl]methoxy]acetate (CID 106940308) is propan-2-yl 2-[[2-(aminomethyl)cyclopentyl]methoxy]acetate.
What is the SMILES notation for propan-2-yl 2-[[2-(aminomethyl)cyclopentyl]methoxy]acetate?
The canonical SMILES for propan-2-yl 2-[[2-(aminomethyl)cyclopentyl]methoxy]acetate is CC(C)OC(=O)COCC1CCCC1CN.
What is the InChIKey of propan-2-yl 2-[[2-(aminomethyl)cyclopentyl]methoxy]acetate?
The InChIKey is CTWOUWKDPSMDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(2)16-12(14)8-15-7-11-5-3-4-10(11)6-13/h9-11H,3-8,13H2,1-2H3.
What are the key properties of propan-2-yl 2-[[2-(aminomethyl)cyclopentyl]methoxy]acetate?
propan-2-yl 2-[[2-(aminomethyl)cyclopentyl]methoxy]acetate has a molecular weight of 229.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[2-(aminomethyl)cyclopentyl]methoxy]acetate is sourced from PubChem (CID 106940308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).