3-(2-morpholin-4-ylethylamino)propanoic acid

C9H18N2O3 — CID 28830354

IUPAC3-(2-morpholin-4-ylethylamino)propanoic acid
SMILESO=C(O)CCNCCN1CCOCC1
InChIInChI=1S/C9H18N2O3/c12-9(13)1-2-10-3-4-11-5-7-14-8-6-11/h10H,1-8H2,(H,12,13)
InChIKeyQVQIQAOFULDXLP-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.62
Rot. Bonds6

About 3-(2-morpholin-4-ylethylamino)propanoic acid

3-(2-morpholin-4-ylethylamino)propanoic acid (PubChem CID 28830354) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethylamino)propanoic acid
PubChem CID28830354
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-(2-morpholin-4-ylethylamino)propanoic acid
SMILESO=C(O)CCNCCN1CCOCC1
InChIInChI=1S/C9H18N2O3/c12-9(13)1-2-10-3-4-11-5-7-14-8-6-11/h10H,1-8H2,(H,12,13)
InChIKeyQVQIQAOFULDXLP-UHFFFAOYSA-N
XLogP-0.62
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

5-(2-morpholin-4-ylethylamino)pentanoic acid
CID 103235757
2-(2-morpholin-4-ylethylamino)acetic acid
CID 28897547
1-morpholin-4-yl-3-(2-morpholin-4-ylethylamino)propan-1-one
CID 109015660
1-(4-acetylpiperazin-1-yl)-3-(2-morpholin-4-ylethylamino)propan-1-one
CID 109016693
N-methyl-4-(2-morpholin-4-ylethylamino)butanamide
CID 63892681
3-(2-morpholin-4-ylethylamino)-N-pentylpropanamide
CID 109016748
3-[methyl(2-morpholin-4-ylethyl)amino]propanoic acid
CID 60987134
2-morpholin-4-ylethylhydrazine;oxalic acid
CID 46741446
3-(4-pyrrolidin-1-ylbutylamino)propanoic acid
CID 82316559
CID 59303713
CID 59303713
N-cyclopropyl-4-(2-morpholin-4-ylethylamino)butanamide
CID 79394794
1,1-dimethyl-3-[2-(2-morpholin-4-ylethylamino)ethyl]urea
CID 83120439

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethylamino)propanoic acid?
The IUPAC name of 3-(2-morpholin-4-ylethylamino)propanoic acid (CID 28830354) is 3-(2-morpholin-4-ylethylamino)propanoic acid.
What is the SMILES notation for 3-(2-morpholin-4-ylethylamino)propanoic acid?
The canonical SMILES for 3-(2-morpholin-4-ylethylamino)propanoic acid is O=C(O)CCNCCN1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-ylethylamino)propanoic acid?
The InChIKey is QVQIQAOFULDXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c12-9(13)1-2-10-3-4-11-5-7-14-8-6-11/h10H,1-8H2,(H,12,13).
What are the key properties of 3-(2-morpholin-4-ylethylamino)propanoic acid?
3-(2-morpholin-4-ylethylamino)propanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethylamino)propanoic acid is sourced from PubChem (CID 28830354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).