3-amino-3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid

C14H19ClN2O3 — CID 117481323

IUPAC3-amino-3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid
SMILESNC(CC(=O)O)c1ccc(CN2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O3/c15-12-7-10(13(16)8-14(18)19)1-2-11(12)9-17-3-5-20-6-4-17/h1-2,7,13H,3-6,8-9,16H2,(H,18,19)
InChIKeyFOPZLPAIUOXECQ-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.65
Rot. Bonds5

About 3-amino-3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid

3-amino-3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid (PubChem CID 117481323) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-amino-3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-amino-3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid
PubChem CID117481323
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name3-amino-3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid
SMILESNC(CC(=O)O)c1ccc(CN2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O3/c15-12-7-10(13(16)8-14(18)19)1-2-11(12)9-17-3-5-20-6-4-17/h1-2,7,13H,3-6,8-9,16H2,(H,18,19)
InChIKeyFOPZLPAIUOXECQ-UHFFFAOYSA-N
XLogP1.65
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane
CID 143579646
4-amino-4-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]butanoic acid
CID 117477615
2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone
CID 117425550
3-amino-3-(3-morpholin-4-ylphenyl)propanoic acid
CID 117379221
methyl 3-chloro-4-(morpholin-4-ylmethyl)benzoate
CID 67335502
2-amino-3-[3-chloro-4-(piperidin-1-ylmethyl)phenyl]propanoic acid
CID 117478260
2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 117421534
4-[(2-chloro-4-ethylsulfanylphenyl)methyl]morpholine
CID 91405859
1-[[3-chloro-4-(morpholin-4-ylmethyl)phenyl]methyl]cyclopropan-1-amine
CID 117450919
(3S)-3-amino-3-(4-chloro-3-fluorophenyl)propanoic acid
CID 78974752
3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid
CID 6484258
3-amino-3-(3-chloro-4-cyclopropylsulfanylphenyl)propanoic acid
CID 117432355

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid?
The IUPAC name of 3-amino-3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid (CID 117481323) is 3-amino-3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid.
What is the SMILES notation for 3-amino-3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid?
The canonical SMILES for 3-amino-3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid is NC(CC(=O)O)c1ccc(CN2CCOCC2)c(Cl)c1.
What is the InChIKey of 3-amino-3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid?
The InChIKey is FOPZLPAIUOXECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c15-12-7-10(13(16)8-14(18)19)1-2-11(12)9-17-3-5-20-6-4-17/h1-2,7,13H,3-6,8-9,16H2,(H,18,19).
What are the key properties of 3-amino-3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid?
3-amino-3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid has a molecular weight of 298.77 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid is sourced from PubChem (CID 117481323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).