3-[(2S)-4-propylmorpholin-2-yl]propanoic acid

C10H19NO3 — CID 144850931

IUPAC3-[(2S)-4-propylmorpholin-2-yl]propanoic acid
SMILESCCCN1CCO[C@@H](CCC(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-2-5-11-6-7-14-9(8-11)3-4-10(12)13/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyDWGZWHFAICEEPW-VIFPVBQESA-N
MW201.27 g/mol
LogP0.96
Rot. Bonds5

About 3-[(2S)-4-propylmorpholin-2-yl]propanoic acid

3-[(2S)-4-propylmorpholin-2-yl]propanoic acid (PubChem CID 144850931) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[(2S)-4-propylmorpholin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2S)-4-propylmorpholin-2-yl]propanoic acid
PubChem CID144850931
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-[(2S)-4-propylmorpholin-2-yl]propanoic acid
SMILESCCCN1CCO[C@@H](CCC(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-2-5-11-6-7-14-9(8-11)3-4-10(12)13/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyDWGZWHFAICEEPW-VIFPVBQESA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-4-propylmorpholin-2-yl]propanoic acid?
The IUPAC name of 3-[(2S)-4-propylmorpholin-2-yl]propanoic acid (CID 144850931) is 3-[(2S)-4-propylmorpholin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2S)-4-propylmorpholin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2S)-4-propylmorpholin-2-yl]propanoic acid is CCCN1CCO[C@@H](CCC(=O)O)C1.
What is the InChIKey of 3-[(2S)-4-propylmorpholin-2-yl]propanoic acid?
The InChIKey is DWGZWHFAICEEPW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-5-11-6-7-14-9(8-11)3-4-10(12)13/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of 3-[(2S)-4-propylmorpholin-2-yl]propanoic acid?
3-[(2S)-4-propylmorpholin-2-yl]propanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-4-propylmorpholin-2-yl]propanoic acid is sourced from PubChem (CID 144850931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).