1-morpholin-4-ylbutyl 2-methylbutanoate

C13H25NO3 — CID 71178180

IUPAC1-morpholin-4-ylbutyl 2-methylbutanoate
SMILESCCCC(OC(=O)C(C)CC)N1CCOCC1
InChIInChI=1S/C13H25NO3/c1-4-6-12(14-7-9-16-10-8-14)17-13(15)11(3)5-2/h11-12H,4-10H2,1-3H3
InChIKeyIBHQMVQMAWFJCV-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.03
Rot. Bonds6

About 1-morpholin-4-ylbutyl 2-methylbutanoate

1-morpholin-4-ylbutyl 2-methylbutanoate (PubChem CID 71178180) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-morpholin-4-ylbutyl 2-methylbutanoate.

Molecular Properties

Compound Name1-morpholin-4-ylbutyl 2-methylbutanoate
PubChem CID71178180
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name1-morpholin-4-ylbutyl 2-methylbutanoate
SMILESCCCC(OC(=O)C(C)CC)N1CCOCC1
InChIInChI=1S/C13H25NO3/c1-4-6-12(14-7-9-16-10-8-14)17-13(15)11(3)5-2/h11-12H,4-10H2,1-3H3
InChIKeyIBHQMVQMAWFJCV-UHFFFAOYSA-N
XLogP2.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-morpholin-4-ylpentanoic acid
CID 61319548
ethyl 2,4-dimethyl-3-morpholin-4-ylpentanoate
CID 5125434
methyl (2S,3S)-2,3-dimorpholin-4-ylpentanoate
CID 101419276
methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate
CID 30031078
1,5-diaminopentan-3-yl 2-methylbutanoate
CID 88947766
[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 90246484
2-morpholin-4-ylethyl 2-ethylpentanoate
CID 144660148
ethyl 2-morpholin-4-ylnonanoate;hydrochloride
CID 117066801
methyl (2R)-2-morpholin-4-ylpropanoate
CID 30030777
2-ethoxy-2-morpholin-4-ylethanol
CID 155797423
ethyl N-(1-morpholin-4-ylpropyl)carbamate
CID 67790508
4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid
CID 3312061

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylbutyl 2-methylbutanoate?
The IUPAC name of 1-morpholin-4-ylbutyl 2-methylbutanoate (CID 71178180) is 1-morpholin-4-ylbutyl 2-methylbutanoate.
What is the SMILES notation for 1-morpholin-4-ylbutyl 2-methylbutanoate?
The canonical SMILES for 1-morpholin-4-ylbutyl 2-methylbutanoate is CCCC(OC(=O)C(C)CC)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-ylbutyl 2-methylbutanoate?
The InChIKey is IBHQMVQMAWFJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-6-12(14-7-9-16-10-8-14)17-13(15)11(3)5-2/h11-12H,4-10H2,1-3H3.
What are the key properties of 1-morpholin-4-ylbutyl 2-methylbutanoate?
1-morpholin-4-ylbutyl 2-methylbutanoate has a molecular weight of 243.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylbutyl 2-methylbutanoate is sourced from PubChem (CID 71178180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).