ethyl 2-[(2-cyclopropyl-2-hydroxyethyl)amino]butanoate

C11H21NO3 — CID 64668765

IUPACethyl 2-[(2-cyclopropyl-2-hydroxyethyl)amino]butanoate
SMILESCCOC(=O)C(CC)NCC(O)C1CC1
InChIInChI=1S/C11H21NO3/c1-3-9(11(14)15-4-2)12-7-10(13)8-5-6-8/h8-10,12-13H,3-7H2,1-2H3
InChIKeyKSXHJHWUGYIGJH-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.69
Rot. Bonds7

About ethyl 2-[(2-cyclopropyl-2-hydroxyethyl)amino]butanoate

ethyl 2-[(2-cyclopropyl-2-hydroxyethyl)amino]butanoate (PubChem CID 64668765) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 2-[(2-cyclopropyl-2-hydroxyethyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-[(2-cyclopropyl-2-hydroxyethyl)amino]butanoate
PubChem CID64668765
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 2-[(2-cyclopropyl-2-hydroxyethyl)amino]butanoate
SMILESCCOC(=O)C(CC)NCC(O)C1CC1
InChIInChI=1S/C11H21NO3/c1-3-9(11(14)15-4-2)12-7-10(13)8-5-6-8/h8-10,12-13H,3-7H2,1-2H3
InChIKeyKSXHJHWUGYIGJH-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

1-cyclopropyl-2-(pentan-3-ylamino)ethanol
CID 63294536
ethyl 2-(propylamino)butanoate
CID 60795885
ethyl 2-[(2-hydroxycyclohexyl)methylamino]butanoate
CID 64913476
2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic acid
CID 69166197
ethyl 2-(oxan-4-ylmethylamino)butanoate
CID 64670157
ethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate
CID 103251512
ethyl 2-(thian-2-ylmethylamino)butanoate
CID 80601085
ethyl 3-hydroxy-2-(2-methylpropylamino)propanoate
CID 104711257
1-cyclopentyl-2-(hexan-3-ylamino)ethanol
CID 115906323
1-cyclohexyl-2-(3-methylpentan-2-ylamino)ethanol
CID 115716443
ethyl 2-cyclopentylpropanoate
CID 10654733
ethyl 2-[[4-(cyclopropylamino)-4-oxobutyl]amino]butanoate
CID 79394631

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-cyclopropyl-2-hydroxyethyl)amino]butanoate?
The IUPAC name of ethyl 2-[(2-cyclopropyl-2-hydroxyethyl)amino]butanoate (CID 64668765) is ethyl 2-[(2-cyclopropyl-2-hydroxyethyl)amino]butanoate.
What is the SMILES notation for ethyl 2-[(2-cyclopropyl-2-hydroxyethyl)amino]butanoate?
The canonical SMILES for ethyl 2-[(2-cyclopropyl-2-hydroxyethyl)amino]butanoate is CCOC(=O)C(CC)NCC(O)C1CC1.
What is the InChIKey of ethyl 2-[(2-cyclopropyl-2-hydroxyethyl)amino]butanoate?
The InChIKey is KSXHJHWUGYIGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-9(11(14)15-4-2)12-7-10(13)8-5-6-8/h8-10,12-13H,3-7H2,1-2H3.
What are the key properties of ethyl 2-[(2-cyclopropyl-2-hydroxyethyl)amino]butanoate?
ethyl 2-[(2-cyclopropyl-2-hydroxyethyl)amino]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 2-[(2-cyclopropyl-2-hydroxyethyl)amino]butanoate is sourced from PubChem (CID 64668765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).