2-[(3-ethylmorpholin-4-yl)methyl]-2-methylbutanoic acid

C12H23NO3 — CID 62272323

IUPAC2-[(3-ethylmorpholin-4-yl)methyl]-2-methylbutanoic acid
SMILESCCC1COCCN1CC(C)(CC)C(=O)O
InChIInChI=1S/C12H23NO3/c1-4-10-8-16-7-6-13(10)9-12(3,5-2)11(14)15/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyDNBPOSDIOKUTRH-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.60
Rot. Bonds5

About 2-[(3-ethylmorpholin-4-yl)methyl]-2-methylbutanoic acid

2-[(3-ethylmorpholin-4-yl)methyl]-2-methylbutanoic acid (PubChem CID 62272323) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[(3-ethylmorpholin-4-yl)methyl]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(3-ethylmorpholin-4-yl)methyl]-2-methylbutanoic acid
PubChem CID62272323
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-[(3-ethylmorpholin-4-yl)methyl]-2-methylbutanoic acid
SMILESCCC1COCCN1CC(C)(CC)C(=O)O
InChIInChI=1S/C12H23NO3/c1-4-10-8-16-7-6-13(10)9-12(3,5-2)11(14)15/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyDNBPOSDIOKUTRH-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclopropyl-3-(3-ethylmorpholin-4-yl)propanoic acid
CID 63909942
2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanoic acid
CID 80997073
4-(3-ethylmorpholin-4-yl)-3-methylbut-2-enoic acid
CID 77006511
2-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]butanoic acid
CID 63171249
N-[2-[(3-ethylmorpholin-4-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 62256327
2-amino-4-(3-ethylmorpholin-4-yl)butanoic acid
CID 63053517
1-[(3-ethylmorpholin-4-yl)methyl]cyclopentane-1-carboxylic acid
CID 62272325
2-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 61264784
2-[(3-ethylmorpholin-4-yl)methyl]furan-3-carboxylic acid
CID 43613412
3-(3-ethylmorpholin-4-yl)-2-methyl-2-phenylpropan-1-amine
CID 55051592
6-(3-ethylmorpholin-4-yl)hexan-3-one
CID 106801201
2-methyl-2-[(2-methylmorpholin-4-yl)methyl]butanoic acid
CID 62272293

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylmorpholin-4-yl)methyl]-2-methylbutanoic acid?
The IUPAC name of 2-[(3-ethylmorpholin-4-yl)methyl]-2-methylbutanoic acid (CID 62272323) is 2-[(3-ethylmorpholin-4-yl)methyl]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(3-ethylmorpholin-4-yl)methyl]-2-methylbutanoic acid?
The canonical SMILES for 2-[(3-ethylmorpholin-4-yl)methyl]-2-methylbutanoic acid is CCC1COCCN1CC(C)(CC)C(=O)O.
What is the InChIKey of 2-[(3-ethylmorpholin-4-yl)methyl]-2-methylbutanoic acid?
The InChIKey is DNBPOSDIOKUTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-10-8-16-7-6-13(10)9-12(3,5-2)11(14)15/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-[(3-ethylmorpholin-4-yl)methyl]-2-methylbutanoic acid?
2-[(3-ethylmorpholin-4-yl)methyl]-2-methylbutanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylmorpholin-4-yl)methyl]-2-methylbutanoic acid is sourced from PubChem (CID 62272323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).