methyl 2-cyclopropyl-2-[(2-ethyl-4-hydroxybutyl)amino]acetate

C12H23NO3 — CID 103258992

IUPACmethyl 2-cyclopropyl-2-[(2-ethyl-4-hydroxybutyl)amino]acetate
SMILESCCC(CCO)CNC(C(=O)OC)C1CC1
InChIInChI=1S/C12H23NO3/c1-3-9(6-7-14)8-13-11(10-4-5-10)12(15)16-2/h9-11,13-14H,3-8H2,1-2H3
InChIKeyGOKOVMGNGPDLKF-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.94
Rot. Bonds8

About methyl 2-cyclopropyl-2-[(2-ethyl-4-hydroxybutyl)amino]acetate

methyl 2-cyclopropyl-2-[(2-ethyl-4-hydroxybutyl)amino]acetate (PubChem CID 103258992) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-[(2-ethyl-4-hydroxybutyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-[(2-ethyl-4-hydroxybutyl)amino]acetate
PubChem CID103258992
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 2-cyclopropyl-2-[(2-ethyl-4-hydroxybutyl)amino]acetate
SMILESCCC(CCO)CNC(C(=O)OC)C1CC1
InChIInChI=1S/C12H23NO3/c1-3-9(6-7-14)8-13-11(10-4-5-10)12(15)16-2/h9-11,13-14H,3-8H2,1-2H3
InChIKeyGOKOVMGNGPDLKF-UHFFFAOYSA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-2-(2-ethylhexylamino)acetate
CID 107816750
methyl 2-cyclopropyl-2-(3-hydroxypentylamino)acetate
CID 103267655
methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate
CID 106842801
methyl 2-cyclopropyl-2-[(4-hydroxy-1-methoxybutan-2-yl)amino]acetate
CID 106162253
methyl 2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropyl)amino]acetate
CID 103251044
methyl 2-cyclopropyl-2-(2-pyrrolidin-1-ylpropylamino)acetate
CID 103259490
methyl 2-[2-(2-hydroxyethyl)pentylamino]butanoate
CID 106114890
methyl 2-cyclopropyl-2-[3-(diethylamino)propylamino]acetate
CID 103234575
methyl 2-acetamido-2-cyclopropylacetate
CID 121215489
methyl 2-cyclopropyl-2-[[2-(hydroxymethyl)cyclopentyl]methylamino]acetate
CID 103255210
methyl 2-(3-butoxypropylamino)-2-cyclopropylacetate
CID 103264717
methyl 2-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate
CID 103239088

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-[(2-ethyl-4-hydroxybutyl)amino]acetate?
The IUPAC name of methyl 2-cyclopropyl-2-[(2-ethyl-4-hydroxybutyl)amino]acetate (CID 103258992) is methyl 2-cyclopropyl-2-[(2-ethyl-4-hydroxybutyl)amino]acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-[(2-ethyl-4-hydroxybutyl)amino]acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-[(2-ethyl-4-hydroxybutyl)amino]acetate is CCC(CCO)CNC(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-[(2-ethyl-4-hydroxybutyl)amino]acetate?
The InChIKey is GOKOVMGNGPDLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-9(6-7-14)8-13-11(10-4-5-10)12(15)16-2/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-2-[(2-ethyl-4-hydroxybutyl)amino]acetate?
methyl 2-cyclopropyl-2-[(2-ethyl-4-hydroxybutyl)amino]acetate has a molecular weight of 229.32 g/mol, XLogP of 0.94, 8 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-ethyl-4-hydroxybutyl)amino]acetate is sourced from PubChem (CID 103258992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).