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

C8H16N2O3 — CID 154028639

IUPAC3-[(2S)-4-(methylamino)morpholin-2-yl]propanoic acid
SMILESCNN1CCO[C@@H](CCC(=O)O)C1
InChIInChI=1S/C8H16N2O3/c1-9-10-4-5-13-7(6-10)2-3-8(11)12/h7,9H,2-6H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyKIFGCXQGIWJMDJ-ZETCQYMHSA-N
MW188.23 g/mol
LogP-0.31
Rot. Bonds4

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

3-[(2S)-4-(methylamino)morpholin-2-yl]propanoic acid (PubChem CID 154028639) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-[(2S)-4-(methylamino)morpholin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2S)-4-(methylamino)morpholin-2-yl]propanoic acid
PubChem CID154028639
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name3-[(2S)-4-(methylamino)morpholin-2-yl]propanoic acid
SMILESCNN1CCO[C@@H](CCC(=O)O)C1
InChIInChI=1S/C8H16N2O3/c1-9-10-4-5-13-7(6-10)2-3-8(11)12/h7,9H,2-6H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyKIFGCXQGIWJMDJ-ZETCQYMHSA-N
XLogP-0.31
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-4-ethylmorpholin-2-yl]propanoic acid
CID 95426354
3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid
CID 95426355
2-[2-Methyl-4-(methylamino)morpholin-3-yl]acetic acid
CID 123985697
3-[(2R)-4-propylmorpholin-2-yl]propanoic acid
CID 137505913
5-[2-(Aminomethyl)morpholin-4-yl]pentanoic acid;ethane
CID 143775627
Ethane;3-(4-methylmorpholin-2-yl)propanoic acid
CID 144576570
3-[(2R)-4-aminomorpholin-2-yl]propanoic acid
CID 144850895
3-[(2S)-4-propylmorpholin-2-yl]propanoic acid
CID 144850931
ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid
CID 145006557
ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid
CID 145006678
3-(4-Ethylmorpholin-2-yl)propanoic acid
CID 82275215
3-(4-Propylmorpholin-2-yl)propanoic acid
CID 84117555

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-4-(methylamino)morpholin-2-yl]propanoic acid?
The IUPAC name of 3-[(2S)-4-(methylamino)morpholin-2-yl]propanoic acid (CID 154028639) is 3-[(2S)-4-(methylamino)morpholin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2S)-4-(methylamino)morpholin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2S)-4-(methylamino)morpholin-2-yl]propanoic acid is CNN1CCO[C@@H](CCC(=O)O)C1.
What is the InChIKey of 3-[(2S)-4-(methylamino)morpholin-2-yl]propanoic acid?
The InChIKey is KIFGCXQGIWJMDJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-9-10-4-5-13-7(6-10)2-3-8(11)12/h7,9H,2-6H2,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of 3-[(2S)-4-(methylamino)morpholin-2-yl]propanoic acid?
3-[(2S)-4-(methylamino)morpholin-2-yl]propanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-4-(methylamino)morpholin-2-yl]propanoic acid is sourced from PubChem (CID 154028639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).