3-[ethyl(oxolan-2-ylmethyl)amino]butanoic acid

C11H21NO3 — CID 61434525

IUPAC3-[ethyl(oxolan-2-ylmethyl)amino]butanoic acid
SMILESCCN(CC1CCCO1)C(C)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-3-12(9(2)7-11(13)14)8-10-5-4-6-15-10/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyRCTYDMOHYIWNFP-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.35
Rot. Bonds6

About 3-[ethyl(oxolan-2-ylmethyl)amino]butanoic acid

3-[ethyl(oxolan-2-ylmethyl)amino]butanoic acid (PubChem CID 61434525) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-[ethyl(oxolan-2-ylmethyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl(oxolan-2-ylmethyl)amino]butanoic acid
PubChem CID61434525
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-[ethyl(oxolan-2-ylmethyl)amino]butanoic acid
SMILESCCN(CC1CCCO1)C(C)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-3-12(9(2)7-11(13)14)8-10-5-4-6-15-10/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyRCTYDMOHYIWNFP-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[Ethyl(oxolan-2-ylmethyl)amino]-4,4,4-trifluorobutanoic acid
CID 63069015
4,4,4-Trifluoro-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid
CID 63073309
Methyl 3-[2-fluoroethyl(oxolan-2-ylmethyl)amino]propanoate
CID 80601927
3,3,3-Trifluoro-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]propanoic acid
CID 80997298
2-[[Ethyl(oxolan-2-ylmethyl)amino]methyl]-3,3,3-trifluoropropanoic acid
CID 80997516
Methyl 3-[3-fluoropropyl(oxolan-2-ylmethyl)amino]propanoate
CID 81338559
4,4,4-Trifluoro-3-[methyl-(2-methyloxolan-3-yl)amino]butanoic acid
CID 82753594
3-(2-(Ethoxymethyl)-4,4-difluoropyrrolidin-1-yl)propanoic acid
CID 121204129
3-[(2R)-2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-yl]propanoic acid
CID 129503121
3-[(2S)-2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-yl]propanoic acid
CID 129503122
Methyl 3-[methyl(oxolan-2-ylmethyl)amino]propanoate
CID 51086819
Acetyl turicine
CID 546958

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(oxolan-2-ylmethyl)amino]butanoic acid?
The IUPAC name of 3-[ethyl(oxolan-2-ylmethyl)amino]butanoic acid (CID 61434525) is 3-[ethyl(oxolan-2-ylmethyl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl(oxolan-2-ylmethyl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl(oxolan-2-ylmethyl)amino]butanoic acid is CCN(CC1CCCO1)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl(oxolan-2-ylmethyl)amino]butanoic acid?
The InChIKey is RCTYDMOHYIWNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-12(9(2)7-11(13)14)8-10-5-4-6-15-10/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-[ethyl(oxolan-2-ylmethyl)amino]butanoic acid?
3-[ethyl(oxolan-2-ylmethyl)amino]butanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(oxolan-2-ylmethyl)amino]butanoic acid is sourced from PubChem (CID 61434525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).