(2S)-2-(methylamino)-3-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid

C15H22N2O3 — CID 67670933

IUPAC(2S)-2-(methylamino)-3-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid
SMILESCN[C@@H](Cc1ccc(CN2CCOCC2)cc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-16-14(15(18)19)10-12-2-4-13(5-3-12)11-17-6-8-20-9-7-17/h2-5,14,16H,6-11H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyLGLHASRVMIVOBK-AWEZNQCLSA-N
MW278.35 g/mol
LogP0.73
Rot. Bonds6

About (2S)-2-(methylamino)-3-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid

(2S)-2-(methylamino)-3-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid (PubChem CID 67670933) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2S)-2-(methylamino)-3-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-(methylamino)-3-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid
PubChem CID67670933
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2S)-2-(methylamino)-3-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid
SMILESCN[C@@H](Cc1ccc(CN2CCOCC2)cc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-16-14(15(18)19)10-12-2-4-13(5-3-12)11-17-6-8-20-9-7-17/h2-5,14,16H,6-11H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyLGLHASRVMIVOBK-AWEZNQCLSA-N
XLogP0.73
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(morpholin-4-ylmethyl)anilino]-3-phenylpropanoic acid
CID 110452254
2-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 105345603
2-methyl-3-(methylamino)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 79203852
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
2-(methylamino)-4-morpholin-4-ylbutanoic acid
CID 63029138
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
(2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride
CID 56845306
N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 133244954
3-(4-bromophenyl)-2-(methylamino)propanoic acid;hydrochloride
CID 167716194
(2S)-2-(methylamino)-3-(4-nitrosophenyl)propanoic acid
CID 87160130
(2S)-3-(4-bromophenyl)-2-(methylamino)propanoic acid;sulfane
CID 160604055
N-butan-2-yl-4-(morpholin-4-ylmethyl)benzamide
CID 2863525

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-3-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid?
The IUPAC name of (2S)-2-(methylamino)-3-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid (CID 67670933) is (2S)-2-(methylamino)-3-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-(methylamino)-3-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-(methylamino)-3-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid is CN[C@@H](Cc1ccc(CN2CCOCC2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-(methylamino)-3-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid?
The InChIKey is LGLHASRVMIVOBK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16-14(15(18)19)10-12-2-4-13(5-3-12)11-17-6-8-20-9-7-17/h2-5,14,16H,6-11H2,1H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-3-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid?
(2S)-2-(methylamino)-3-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-3-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid is sourced from PubChem (CID 67670933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).