2-amino-3-methyl-3-morpholin-4-ylbutanoic acid

C9H18N2O3 — CID 146155824

IUPAC2-amino-3-methyl-3-morpholin-4-ylbutanoic acid
SMILESCC(C)(C(N)C(=O)O)N1CCOCC1
InChIInChI=1S/C9H18N2O3/c1-9(2,7(10)8(12)13)11-3-5-14-6-4-11/h7H,3-6,10H2,1-2H3,(H,12,13)
InChIKeyYNBXETBNAYJZRE-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.49
Rot. Bonds3

About 2-amino-3-methyl-3-morpholin-4-ylbutanoic acid

2-amino-3-methyl-3-morpholin-4-ylbutanoic acid (PubChem CID 146155824) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-amino-3-methyl-3-morpholin-4-ylbutanoic acid.

Molecular Properties

Compound Name2-amino-3-methyl-3-morpholin-4-ylbutanoic acid
PubChem CID146155824
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-amino-3-methyl-3-morpholin-4-ylbutanoic acid
SMILESCC(C)(C(N)C(=O)O)N1CCOCC1
InChIInChI=1S/C9H18N2O3/c1-9(2,7(10)8(12)13)11-3-5-14-6-4-11/h7H,3-6,10H2,1-2H3,(H,12,13)
InChIKeyYNBXETBNAYJZRE-UHFFFAOYSA-N
XLogP-0.49
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-3-morpholin-4-ylbutanoic acid?
The IUPAC name of 2-amino-3-methyl-3-morpholin-4-ylbutanoic acid (CID 146155824) is 2-amino-3-methyl-3-morpholin-4-ylbutanoic acid.
What is the SMILES notation for 2-amino-3-methyl-3-morpholin-4-ylbutanoic acid?
The canonical SMILES for 2-amino-3-methyl-3-morpholin-4-ylbutanoic acid is CC(C)(C(N)C(=O)O)N1CCOCC1.
What is the InChIKey of 2-amino-3-methyl-3-morpholin-4-ylbutanoic acid?
The InChIKey is YNBXETBNAYJZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(2,7(10)8(12)13)11-3-5-14-6-4-11/h7H,3-6,10H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-3-methyl-3-morpholin-4-ylbutanoic acid?
2-amino-3-methyl-3-morpholin-4-ylbutanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-3-morpholin-4-ylbutanoic acid is sourced from PubChem (CID 146155824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).