(2S)-2-amino-3-[4-(2-morpholin-4-ylethylamino)phenyl]propanoic acid

C15H23N3O3 — CID 130323279

IUPAC(2S)-2-amino-3-[4-(2-morpholin-4-ylethylamino)phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(NCCN2CCOCC2)cc1)C(=O)O
InChIInChI=1S/C15H23N3O3/c16-14(15(19)20)11-12-1-3-13(4-2-12)17-5-6-18-7-9-21-10-8-18/h1-4,14,17H,5-11,16H2,(H,19,20)/t14-/m0/s1
InChIKeyCAMRFFINWCOAAZ-AWEZNQCLSA-N
MW293.37 g/mol
LogP0.39
Rot. Bonds7

About (2S)-2-amino-3-[4-(2-morpholin-4-ylethylamino)phenyl]propanoic acid

(2S)-2-amino-3-[4-(2-morpholin-4-ylethylamino)phenyl]propanoic acid (PubChem CID 130323279) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-(2-morpholin-4-ylethylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-(2-morpholin-4-ylethylamino)phenyl]propanoic acid
PubChem CID130323279
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(2S)-2-amino-3-[4-(2-morpholin-4-ylethylamino)phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(NCCN2CCOCC2)cc1)C(=O)O
InChIInChI=1S/C15H23N3O3/c16-14(15(19)20)11-12-1-3-13(4-2-12)17-5-6-18-7-9-21-10-8-18/h1-4,14,17H,5-11,16H2,(H,19,20)/t14-/m0/s1
InChIKeyCAMRFFINWCOAAZ-AWEZNQCLSA-N
XLogP0.39
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 119865081
4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide;dihydrochloride
CID 119865080
(2S)-2-[(1S)-2-[4-(2-morpholin-4-ylethylamino)phenyl]-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 118506245
2-ethyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]butanamide
CID 112981413
4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807
2-amino-3-[4-(ethylamino)phenyl]propanoic acid;dihydrochloride
CID 22603322
2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid
CID 81282507
(2S)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid
CID 141006168
(2R)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid
CID 146352445
3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016608
3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016587
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-(2-morpholin-4-ylethylamino)phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[4-(2-morpholin-4-ylethylamino)phenyl]propanoic acid (CID 130323279) is (2S)-2-amino-3-[4-(2-morpholin-4-ylethylamino)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[4-(2-morpholin-4-ylethylamino)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[4-(2-morpholin-4-ylethylamino)phenyl]propanoic acid is N[C@@H](Cc1ccc(NCCN2CCOCC2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[4-(2-morpholin-4-ylethylamino)phenyl]propanoic acid?
The InChIKey is CAMRFFINWCOAAZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N3O3/c16-14(15(19)20)11-12-1-3-13(4-2-12)17-5-6-18-7-9-21-10-8-18/h1-4,14,17H,5-11,16H2,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-(2-morpholin-4-ylethylamino)phenyl]propanoic acid?
(2S)-2-amino-3-[4-(2-morpholin-4-ylethylamino)phenyl]propanoic acid has a molecular weight of 293.37 g/mol, XLogP of 0.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-(2-morpholin-4-ylethylamino)phenyl]propanoic acid is sourced from PubChem (CID 130323279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).