(2S)-3-methyl-2-[(2-morpholin-4-ylacetyl)amino]butanoic acid

C11H20N2O4 — CID 54180922

IUPAC(2S)-3-methyl-2-[(2-morpholin-4-ylacetyl)amino]butanoic acid
SMILESCC(C)[C@H](NC(=O)CN1CCOCC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-8(2)10(11(15)16)12-9(14)7-13-3-5-17-6-4-13/h8,10H,3-7H2,1-2H3,(H,12,14)(H,15,16)/t10-/m0/s1
InChIKeyPBSPFYGJYMIWQU-JTQLQIEISA-N
MW244.29 g/mol
LogP-0.46
Rot. Bonds5

About (2S)-3-methyl-2-[(2-morpholin-4-ylacetyl)amino]butanoic acid

(2S)-3-methyl-2-[(2-morpholin-4-ylacetyl)amino]butanoic acid (PubChem CID 54180922) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(2-morpholin-4-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(2-morpholin-4-ylacetyl)amino]butanoic acid
PubChem CID54180922
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2S)-3-methyl-2-[(2-morpholin-4-ylacetyl)amino]butanoic acid
SMILESCC(C)[C@H](NC(=O)CN1CCOCC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-8(2)10(11(15)16)12-9(14)7-13-3-5-17-6-4-13/h8,10H,3-7H2,1-2H3,(H,12,14)(H,15,16)/t10-/m0/s1
InChIKeyPBSPFYGJYMIWQU-JTQLQIEISA-N
XLogP-0.46
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(2-morpholin-4-ylacetyl)amino]butanoic acid?
The IUPAC name of (2S)-3-methyl-2-[(2-morpholin-4-ylacetyl)amino]butanoic acid (CID 54180922) is (2S)-3-methyl-2-[(2-morpholin-4-ylacetyl)amino]butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[(2-morpholin-4-ylacetyl)amino]butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[(2-morpholin-4-ylacetyl)amino]butanoic acid is CC(C)[C@H](NC(=O)CN1CCOCC1)C(=O)O.
What is the InChIKey of (2S)-3-methyl-2-[(2-morpholin-4-ylacetyl)amino]butanoic acid?
The InChIKey is PBSPFYGJYMIWQU-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(2)10(11(15)16)12-9(14)7-13-3-5-17-6-4-13/h8,10H,3-7H2,1-2H3,(H,12,14)(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(2-morpholin-4-ylacetyl)amino]butanoic acid?
(2S)-3-methyl-2-[(2-morpholin-4-ylacetyl)amino]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(2-morpholin-4-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 54180922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).