(2S)-2-amino-3-morpholin-4-ylpropanoic acid

C7H14N2O3 — CID 15347149

IUPAC(2S)-2-amino-3-morpholin-4-ylpropanoic acid
SMILESN[C@@H](CN1CCOCC1)C(=O)O
InChIInChI=1S/C7H14N2O3/c8-6(7(10)11)5-9-1-3-12-4-2-9/h6H,1-5,8H2,(H,10,11)/t6-/m0/s1
InChIKeyXQBWWSOQRZVLPX-LURJTMIESA-N
MW174.20 g/mol
LogP-1.27
Rot. Bonds3

About (2S)-2-amino-3-morpholin-4-ylpropanoic acid

(2S)-2-amino-3-morpholin-4-ylpropanoic acid (PubChem CID 15347149) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2S)-2-amino-3-morpholin-4-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-morpholin-4-ylpropanoic acid
PubChem CID15347149
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(2S)-2-amino-3-morpholin-4-ylpropanoic acid
SMILESN[C@@H](CN1CCOCC1)C(=O)O
InChIInChI=1S/C7H14N2O3/c8-6(7(10)11)5-9-1-3-12-4-2-9/h6H,1-5,8H2,(H,10,11)/t6-/m0/s1
InChIKeyXQBWWSOQRZVLPX-LURJTMIESA-N
XLogP-1.27
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-morpholin-4-ylpropanoic acid?
The IUPAC name of (2S)-2-amino-3-morpholin-4-ylpropanoic acid (CID 15347149) is (2S)-2-amino-3-morpholin-4-ylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-morpholin-4-ylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3-morpholin-4-ylpropanoic acid is N[C@@H](CN1CCOCC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-morpholin-4-ylpropanoic acid?
The InChIKey is XQBWWSOQRZVLPX-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O3/c8-6(7(10)11)5-9-1-3-12-4-2-9/h6H,1-5,8H2,(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-3-morpholin-4-ylpropanoic acid?
(2S)-2-amino-3-morpholin-4-ylpropanoic acid has a molecular weight of 174.20 g/mol, XLogP of -1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-morpholin-4-ylpropanoic acid is sourced from PubChem (CID 15347149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).