methyl 2-cyclopropyl-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]acetate

C13H23NO3 — CID 103255210

IUPACmethyl 2-cyclopropyl-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]acetate
SMILESCOC(=O)C(NCC1CCCC1CO)C1CC1
InChIInChI=1S/C13H23NO3/c1-17-13(16)12(9-5-6-9)14-7-10-3-2-4-11(10)8-15/h9-12,14-15H,2-8H2,1H3
InChIKeyZFPRRGOXDXSGBT-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.94
Rot. Bonds6

About methyl 2-cyclopropyl-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]acetate

methyl 2-cyclopropyl-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]acetate (PubChem CID 103255210) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]acetate
PubChem CID103255210
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namemethyl 2-cyclopropyl-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]acetate
SMILESCOC(=O)C(NCC1CCCC1CO)C1CC1
InChIInChI=1S/C13H23NO3/c1-17-13(16)12(9-5-6-9)14-7-10-3-2-4-11(10)8-15/h9-12,14-15H,2-8H2,1H3
InChIKeyZFPRRGOXDXSGBT-UHFFFAOYSA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-methoxypropanamide
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methyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate
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methyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate
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methyl 2-cyclohexyl-2-(2-methoxyethylamino)acetate
CID 62540326
methyl 2-cyclopropyl-2-(cyclopropylamino)acetate
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CID 103261473

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]acetate?
The IUPAC name of methyl 2-cyclopropyl-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]acetate (CID 103255210) is methyl 2-cyclopropyl-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]acetate is COC(=O)C(NCC1CCCC1CO)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]acetate?
The InChIKey is ZFPRRGOXDXSGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-17-13(16)12(9-5-6-9)14-7-10-3-2-4-11(10)8-15/h9-12,14-15H,2-8H2,1H3.
What are the key properties of methyl 2-cyclopropyl-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]acetate?
methyl 2-cyclopropyl-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]acetate has a molecular weight of 241.33 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]acetate is sourced from PubChem (CID 103255210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).