2-amino-3-(2-morpholin-4-ylphenyl)propanoic acid

C13H18N2O3 — CID 23510312

IUPAC2-amino-3-(2-morpholin-4-ylphenyl)propanoic acid
SMILESNC(Cc1ccccc1N1CCOCC1)C(=O)O
InChIInChI=1S/C13H18N2O3/c14-11(13(16)17)9-10-3-1-2-4-12(10)15-5-7-18-8-6-15/h1-4,11H,5-9,14H2,(H,16,17)
InChIKeyQTJCZMRDZQWGSV-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.48
Rot. Bonds4

About 2-amino-3-(2-morpholin-4-ylphenyl)propanoic acid

2-amino-3-(2-morpholin-4-ylphenyl)propanoic acid (PubChem CID 23510312) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-amino-3-(2-morpholin-4-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-morpholin-4-ylphenyl)propanoic acid
PubChem CID23510312
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-amino-3-(2-morpholin-4-ylphenyl)propanoic acid
SMILESNC(Cc1ccccc1N1CCOCC1)C(=O)O
InChIInChI=1S/C13H18N2O3/c14-11(13(16)17)9-10-3-1-2-4-12(10)15-5-7-18-8-6-15/h1-4,11H,5-9,14H2,(H,16,17)
InChIKeyQTJCZMRDZQWGSV-UHFFFAOYSA-N
XLogP0.48
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[2-(3,5-dioxopiperazin-1-yl)phenyl]propanoic acid
CID 117443967
1-(2-morpholin-4-ylphenyl)propan-2-ol
CID 83674895
2-amino-3-[4-[[N'-[(2-morpholin-4-ylphenyl)methyl]carbamimidoyl]carbamoyl]phenyl]propanoic acid
CID 118138696
2-amino-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119836433
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
(2R)-2-amino-3-(2-boronophenyl)propanoic acid
CID 131503499
2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 110443194
1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 119853759
2-amino-3-(2-ethoxy-4-morpholin-4-ylphenyl)propanoic acid
CID 170880036
2-hydroxy-3-(4-morpholin-4-ylnaphthalen-1-yl)propanoic acid
CID 175286928
(2S)-2-amino-N-(2-morpholin-4-ylphenyl)-2-phenylacetamide
CID 22691745
1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119853786

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-morpholin-4-ylphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(2-morpholin-4-ylphenyl)propanoic acid (CID 23510312) is 2-amino-3-(2-morpholin-4-ylphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-morpholin-4-ylphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-morpholin-4-ylphenyl)propanoic acid is NC(Cc1ccccc1N1CCOCC1)C(=O)O.
What is the InChIKey of 2-amino-3-(2-morpholin-4-ylphenyl)propanoic acid?
The InChIKey is QTJCZMRDZQWGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-11(13(16)17)9-10-3-1-2-4-12(10)15-5-7-18-8-6-15/h1-4,11H,5-9,14H2,(H,16,17).
What are the key properties of 2-amino-3-(2-morpholin-4-ylphenyl)propanoic acid?
2-amino-3-(2-morpholin-4-ylphenyl)propanoic acid has a molecular weight of 250.30 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-morpholin-4-ylphenyl)propanoic acid is sourced from PubChem (CID 23510312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).