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

C14H18N2O5 — CID 141006168

IUPAC(2S)-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-/m0/s1
InChIKeyAVTMSXQYKAUFTQ-LBPRGKRZSA-N
MW294.31 g/mol
LogP0.47
Rot. Bonds4

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

(2S)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid (PubChem CID 141006168) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid
PubChem CID141006168
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name(2S)-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-/m0/s1
InChIKeyAVTMSXQYKAUFTQ-LBPRGKRZSA-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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Related Compounds

(2R)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid
CID 146352445
(2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 54322087
2-[(2-chlorobenzoyl)amino]-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid
CID 22888788
(2S)-3-[4-(morpholine-4-carbonyloxy)phenyl]-2-(naphthalene-2-carbonylamino)propanoic acid
CID 11532446
[4-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-acetylpiperazine-1-carboxylate
CID 142677574
(2S)-2-amino-3-[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]oxyphenyl]propanoic acid
CID 142677569
4-[4-(2-amino-3-morpholin-4-yl-3-oxopropyl)phenoxy]benzamide
CID 25007040
(2S)-2-amino-3-[4-(2-morpholin-4-ylethylamino)phenyl]propanoic acid
CID 130323279
2-amino-3-[4-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxyphenyl]propanoic acid
CID 70292963
2-amino-3-[4-(2,2-dimethylpropanoyloxy)phenyl]propanoic acid
CID 10264836
2-amino-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid
CID 22386449
(2R)-2-amino-3-[4-(chloromethoxycarbonyloxy)phenyl]propanoic acid
CID 66562275

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid (CID 141006168) is (2S)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid?
The canonical SMILES for (2S)-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 (2S)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid?
The InChIKey is AVTMSXQYKAUFTQ-LBPRGKRZSA-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-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid?
(2S)-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 (2S)-2-amino-3-[4-(morpholine-4-carbonyloxy)phenyl]propanoic acid is sourced from PubChem (CID 141006168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).