2-amino-4-(3-ethylmorpholin-4-yl)butanoic acid

C10H20N2O3 — CID 63053517

IUPAC2-amino-4-(3-ethylmorpholin-4-yl)butanoic acid
SMILESCCC1COCCN1CCC(N)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-2-8-7-15-6-5-12(8)4-3-9(11)10(13)14/h8-9H,2-7,11H2,1H3,(H,13,14)
InChIKeyPPKIIYJCCMYDAC-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.10
Rot. Bonds5

About 2-amino-4-(3-ethylmorpholin-4-yl)butanoic acid

2-amino-4-(3-ethylmorpholin-4-yl)butanoic acid (PubChem CID 63053517) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-amino-4-(3-ethylmorpholin-4-yl)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(3-ethylmorpholin-4-yl)butanoic acid
PubChem CID63053517
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-amino-4-(3-ethylmorpholin-4-yl)butanoic acid
SMILESCCC1COCCN1CCC(N)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-2-8-7-15-6-5-12(8)4-3-9(11)10(13)14/h8-9H,2-7,11H2,1H3,(H,13,14)
InChIKeyPPKIIYJCCMYDAC-UHFFFAOYSA-N
XLogP-0.10
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(2-ethylpiperidin-1-yl)butanoic acid
CID 63028622
6-(3-ethylmorpholin-4-yl)hexan-3-one
CID 106801201
2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanoic acid
CID 80997073
1-[2-(3-ethylmorpholin-4-yl)ethyl]piperidin-4-amine
CID 79328207
[(3R)-4-methylmorpholin-3-yl]methyl (2S)-2-aminobutanoate
CID 118119859
2-acetamido-3-(3-ethylmorpholin-4-yl)propanoic acid
CID 64581322
2-amino-4-(2-ethylmorpholin-4-yl)butanoic acid
CID 63028647
methyl 2-amino-4-(3-methylmorpholin-4-yl)butanoate
CID 63029800
4-(9-bromononyl)-3-ethylmorpholine
CID 105343626
2-(3-ethylmorpholin-4-yl)-1-phenylethanamine
CID 43613110
4-(3-chloropropyl)-3-ethylmorpholine
CID 61288570
3-ethyl-4-(2-methoxyethyl)morpholine
CID 157403746

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-ethylmorpholin-4-yl)butanoic acid?
The IUPAC name of 2-amino-4-(3-ethylmorpholin-4-yl)butanoic acid (CID 63053517) is 2-amino-4-(3-ethylmorpholin-4-yl)butanoic acid.
What is the SMILES notation for 2-amino-4-(3-ethylmorpholin-4-yl)butanoic acid?
The canonical SMILES for 2-amino-4-(3-ethylmorpholin-4-yl)butanoic acid is CCC1COCCN1CCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-(3-ethylmorpholin-4-yl)butanoic acid?
The InChIKey is PPKIIYJCCMYDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-2-8-7-15-6-5-12(8)4-3-9(11)10(13)14/h8-9H,2-7,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-4-(3-ethylmorpholin-4-yl)butanoic acid?
2-amino-4-(3-ethylmorpholin-4-yl)butanoic acid has a molecular weight of 216.28 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-ethylmorpholin-4-yl)butanoic acid is sourced from PubChem (CID 63053517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).