(2R)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid

C14H18N2O5 — CID 146352445

IUPAC(2R)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid
SMILESN[C@H](Cc1ccc(OC(=O)N2CCOCC2)cc1)C(=O)O
InChIInChI=1S/C14H18N2O5/c15-12(13(17)18)9-10-1-3-11(4-2-10)21-14(19)16-5-7-20-8-6-16/h1-4,12H,5-9,15H2,(H,17,18)/t12-/m1/s1
InChIKeyAVTMSXQYKAUFTQ-GFCCVEGCSA-N
MW294.31 g/mol
LogP0.47
Rot. Bonds4

About (2R)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid

(2R)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid (PubChem CID 146352445) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2R)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid
PubChem CID146352445
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name(2R)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid
SMILESN[C@H](Cc1ccc(OC(=O)N2CCOCC2)cc1)C(=O)O
InChIInChI=1S/C14H18N2O5/c15-12(13(17)18)9-10-1-3-11(4-2-10)21-14(19)16-5-7-20-8-6-16/h1-4,12H,5-9,15H2,(H,17,18)/t12-/m1/s1
InChIKeyAVTMSXQYKAUFTQ-GFCCVEGCSA-N
XLogP0.47
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid (CID 146352445) is (2R)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid is N[C@H](Cc1ccc(OC(=O)N2CCOCC2)cc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid?
The InChIKey is AVTMSXQYKAUFTQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O5/c15-12(13(17)18)9-10-1-3-11(4-2-10)21-14(19)16-5-7-20-8-6-16/h1-4,12H,5-9,15H2,(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid?
(2R)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid has a molecular weight of 294.31 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid is sourced from PubChem (CID 146352445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).