ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanoate

C11H21NO3 — CID 115454875

IUPACethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanoate
SMILESCCOC(=O)CC(C)NCC1(CO)CC1
InChIInChI=1S/C11H21NO3/c1-3-15-10(14)6-9(2)12-7-11(8-13)4-5-11/h9,12-13H,3-8H2,1-2H3
InChIKeyOBYWJXLRUCECEF-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.69
Rot. Bonds7

About ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanoate

ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanoate (PubChem CID 115454875) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanoate.

Molecular Properties

Compound Nameethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanoate
PubChem CID115454875
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanoate
SMILESCCOC(=O)CC(C)NCC1(CO)CC1
InChIInChI=1S/C11H21NO3/c1-3-15-10(14)6-9(2)12-7-11(8-13)4-5-11/h9,12-13H,3-8H2,1-2H3
InChIKeyOBYWJXLRUCECEF-UHFFFAOYSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 65122002
ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propanoate
CID 115454884
ethyl 3-[(3-hydroxyoxolan-3-yl)methylamino]butanoate
CID 106100665
3-[[1-(2-ethoxyethyl)cyclopropyl]methylamino]butanamide
CID 115895322
CID 148887826
CID 148887826
ethyl 3-[(4-ethoxy-4-oxobutan-2-yl)amino]butanoate
CID 121011286
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanamide
CID 115454582
ethyl 3-[(4-methylcyclohexyl)methylamino]butanoate
CID 63243710
ethyl 3-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 64579524
3-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966735
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-pentan-3-ylpropanamide
CID 113313239
methyl 2-[[1-(hydroxymethyl)cyclopropyl]methylsulfamoyl]propanoate
CID 115455438

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanoate?
The IUPAC name of ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanoate (CID 115454875) is ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanoate.
What is the SMILES notation for ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanoate?
The canonical SMILES for ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanoate is CCOC(=O)CC(C)NCC1(CO)CC1.
What is the InChIKey of ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanoate?
The InChIKey is OBYWJXLRUCECEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-15-10(14)6-9(2)12-7-11(8-13)4-5-11/h9,12-13H,3-8H2,1-2H3.
What are the key properties of ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanoate?
ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanoate has a molecular weight of 215.29 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanoate is sourced from PubChem (CID 115454875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).