(2R)-2-(oxane-3-carbonylamino)-3-phenylpropanoic acid

C15H19NO4 — CID 103804303

IUPAC(2R)-2-(oxane-3-carbonylamino)-3-phenylpropanoic acid
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)O)C1CCCOC1
InChIInChI=1S/C15H19NO4/c17-14(12-7-4-8-20-10-12)16-13(15(18)19)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,17)(H,18,19)/t12?,13-/m1/s1
InChIKeyUOUWUFZODIJYRU-ZGTCLIOFSA-N
MW277.32 g/mol
LogP1.23
Rot. Bonds5

About (2R)-2-(oxane-3-carbonylamino)-3-phenylpropanoic acid

(2R)-2-(oxane-3-carbonylamino)-3-phenylpropanoic acid (PubChem CID 103804303) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2R)-2-(oxane-3-carbonylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(oxane-3-carbonylamino)-3-phenylpropanoic acid
PubChem CID103804303
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(2R)-2-(oxane-3-carbonylamino)-3-phenylpropanoic acid
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)O)C1CCCOC1
InChIInChI=1S/C15H19NO4/c17-14(12-7-4-8-20-10-12)16-13(15(18)19)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,17)(H,18,19)/t12?,13-/m1/s1
InChIKeyUOUWUFZODIJYRU-ZGTCLIOFSA-N
XLogP1.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide
CID 107861200
(2R)-3-phenyl-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 104902032
(2S)-3-phenyl-2-(piperidine-4-carbonylamino)propanoic acid
CID 59706027
(2R)-2-[(4-aminocyclohexanecarbonyl)amino]-3-phenylpropanoic acid
CID 104902026
4-amino-2-(oxane-3-carbonylamino)-4-oxobutanoic acid
CID 55110091
(2S)-2-(oxane-2-carbonylamino)-3-phenylpropanoic acid
CID 62213678
(2R)-2-[3-(oxolan-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 119367062
2-[3-(oxolan-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 120580724
(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]propanoic acid;hydrochloride
CID 69408420
(2R)-2-[(5-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid
CID 104979108
(2R)-2-[(1-benzylpiperidine-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119367101

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(oxane-3-carbonylamino)-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-(oxane-3-carbonylamino)-3-phenylpropanoic acid (CID 103804303) is (2R)-2-(oxane-3-carbonylamino)-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-(oxane-3-carbonylamino)-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-(oxane-3-carbonylamino)-3-phenylpropanoic acid is O=C(N[C@H](Cc1ccccc1)C(=O)O)C1CCCOC1.
What is the InChIKey of (2R)-2-(oxane-3-carbonylamino)-3-phenylpropanoic acid?
The InChIKey is UOUWUFZODIJYRU-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14(12-7-4-8-20-10-12)16-13(15(18)19)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,17)(H,18,19)/t12?,13-/m1/s1.
What are the key properties of (2R)-2-(oxane-3-carbonylamino)-3-phenylpropanoic acid?
(2R)-2-(oxane-3-carbonylamino)-3-phenylpropanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(oxane-3-carbonylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 103804303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).