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

C9H17NO3 — CID 95426355

IUPAC3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid
SMILESCCN1CCO[C@@H](CCC(=O)O)C1
InChIInChI=1S/C9H17NO3/c1-2-10-5-6-13-8(7-10)3-4-9(11)12/h8H,2-7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyNBKNXAQBEDEQGO-QMMMGPOBSA-N
MW187.24 g/mol
LogP0.57
Rot. Bonds4

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

3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid (PubChem CID 95426355) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid
PubChem CID95426355
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid
SMILESCCN1CCO[C@@H](CCC(=O)O)C1
InChIInChI=1S/C9H17NO3/c1-2-10-5-6-13-8(7-10)3-4-9(11)12/h8H,2-7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyNBKNXAQBEDEQGO-QMMMGPOBSA-N
XLogP0.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-methoxyethyl)morpholin-2-yl]propanoic acid
CID 117008804
4-ethyl-2-propylmorpholine
CID 127673597
ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid
CID 145006678
3-[(4-ethylmorpholin-2-yl)methylsulfamoyl]propanoic acid
CID 114399530
2,4-diethylmorpholine
CID 58988021
3-[ethyl-[(4-ethylmorpholin-2-yl)methylcarbamoyl]amino]propanoic acid
CID 114400933
5-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
CID 114400913
3-[1-[(4-ethylmorpholin-2-yl)methyl]piperidin-4-yl]oxypropanoic acid
CID 79171517
2-[(2R)-4-ethylmorpholin-2-yl]-N-methylethanamine;molecular hydrogen
CID 169214323
3-[(4-ethylmorpholin-2-yl)methylsulfamoyl-methylamino]propanoic acid
CID 114399539
2-[(2S)-4-ethylmorpholin-2-yl]-N-methylethanamine
CID 94133449
3-[N-[(4-ethylmorpholin-2-yl)methyl]anilino]propanoic acid
CID 79172488

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid?
The IUPAC name of 3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid (CID 95426355) is 3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid is CCN1CCO[C@@H](CCC(=O)O)C1.
What is the InChIKey of 3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid?
The InChIKey is NBKNXAQBEDEQGO-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-10-5-6-13-8(7-10)3-4-9(11)12/h8H,2-7H2,1H3,(H,11,12)/t8-/m0/s1.
What are the key properties of 3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid?
3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid is sourced from PubChem (CID 95426355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).