3-[(2R)-4-aminomorpholin-2-yl]propanoic acid

C7H14N2O3 — CID 144850895

IUPAC3-[(2R)-4-aminomorpholin-2-yl]propanoic acid
SMILESNN1CCO[C@H](CCC(=O)O)C1
InChIInChI=1S/C7H14N2O3/c8-9-3-4-12-6(5-9)1-2-7(10)11/h6H,1-5,8H2,(H,10,11)/t6-/m1/s1
InChIKeyXRPRMYDLFIVPOE-ZCFIWIBFSA-N
MW174.20 g/mol
LogP-0.57
Rot. Bonds3

About 3-[(2R)-4-aminomorpholin-2-yl]propanoic acid

3-[(2R)-4-aminomorpholin-2-yl]propanoic acid (PubChem CID 144850895) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-[(2R)-4-aminomorpholin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-4-aminomorpholin-2-yl]propanoic acid
PubChem CID144850895
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name3-[(2R)-4-aminomorpholin-2-yl]propanoic acid
SMILESNN1CCO[C@H](CCC(=O)O)C1
InChIInChI=1S/C7H14N2O3/c8-9-3-4-12-6(5-9)1-2-7(10)11/h6H,1-5,8H2,(H,10,11)/t6-/m1/s1
InChIKeyXRPRMYDLFIVPOE-ZCFIWIBFSA-N
XLogP-0.57
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 ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-aminomorpholin-2-yl]propanoic acid?
The IUPAC name of 3-[(2R)-4-aminomorpholin-2-yl]propanoic acid (CID 144850895) is 3-[(2R)-4-aminomorpholin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-4-aminomorpholin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-4-aminomorpholin-2-yl]propanoic acid is NN1CCO[C@H](CCC(=O)O)C1.
What is the InChIKey of 3-[(2R)-4-aminomorpholin-2-yl]propanoic acid?
The InChIKey is XRPRMYDLFIVPOE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14N2O3/c8-9-3-4-12-6(5-9)1-2-7(10)11/h6H,1-5,8H2,(H,10,11)/t6-/m1/s1.
What are the key properties of 3-[(2R)-4-aminomorpholin-2-yl]propanoic acid?
3-[(2R)-4-aminomorpholin-2-yl]propanoic acid has a molecular weight of 174.20 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-aminomorpholin-2-yl]propanoic acid is sourced from PubChem (CID 144850895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).