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

C9H18N2O3 — CID 95328025

IUPAC3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid
SMILESCN1CCO[C@H](CNCCC(=O)O)C1
InChIInChI=1S/C9H18N2O3/c1-11-4-5-14-8(7-11)6-10-3-2-9(12)13/h8,10H,2-7H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyKIFQXEHLTCABPK-MRVPVSSYSA-N
MW202.25 g/mol
LogP-0.62
Rot. Bonds5

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

3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid (PubChem CID 95328025) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid
PubChem CID95328025
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid
SMILESCN1CCO[C@H](CNCCC(=O)O)C1
InChIInChI=1S/C9H18N2O3/c1-11-4-5-14-8(7-11)6-10-3-2-9(12)13/h8,10H,2-7H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyKIFQXEHLTCABPK-MRVPVSSYSA-N
XLogP-0.62
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945349
methyl 4-[(4-methylmorpholin-2-yl)methylamino]butanoate
CID 78967404
N-butan-2-yl-3-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 79172289
N'-hydroxy-3-[(4-methylmorpholin-2-yl)methylamino]propanimidamide
CID 79071738
ethane;3-[(2R)-4-methylmorpholin-2-yl]propanoic acid
CID 145006678
2-[(4-methylmorpholin-2-yl)methylamino]-N-propylacetamide
CID 78945295
3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79181889
N-[2-[(4-methylmorpholin-2-yl)methylamino]ethyl]methanesulfonamide
CID 78950380
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine
CID 106123425
2-[2-[(4-methylmorpholin-2-yl)methylamino]ethoxy]ethanol
CID 78998731

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid?
The IUPAC name of 3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid (CID 95328025) is 3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid.
What is the SMILES notation for 3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid?
The canonical SMILES for 3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid is CN1CCO[C@H](CNCCC(=O)O)C1.
What is the InChIKey of 3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid?
The InChIKey is KIFQXEHLTCABPK-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-11-4-5-14-8(7-11)6-10-3-2-9(12)13/h8,10H,2-7H2,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of 3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid?
3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid is sourced from PubChem (CID 95328025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).