(2S)-2-[(2-oxooxolan-3-yl)amino]-3-phenylpropanoic acid

C13H15NO4 — CID 18635454

IUPAC(2S)-2-[(2-oxooxolan-3-yl)amino]-3-phenylpropanoic acid
SMILESO=C1OCCC1N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C13H15NO4/c15-12(16)11(8-9-4-2-1-3-5-9)14-10-6-7-18-13(10)17/h1-5,10-11,14H,6-8H2,(H,15,16)/t10?,11-/m0/s1
InChIKeyFNQXPWWBAICZPP-DTIOYNMSSA-N
MW249.27 g/mol
LogP0.59
Rot. Bonds5

About (2S)-2-[(2-oxooxolan-3-yl)amino]-3-phenylpropanoic acid

(2S)-2-[(2-oxooxolan-3-yl)amino]-3-phenylpropanoic acid (PubChem CID 18635454) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is (2S)-2-[(2-oxooxolan-3-yl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-oxooxolan-3-yl)amino]-3-phenylpropanoic acid
PubChem CID18635454
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name(2S)-2-[(2-oxooxolan-3-yl)amino]-3-phenylpropanoic acid
SMILESO=C1OCCC1N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C13H15NO4/c15-12(16)11(8-9-4-2-1-3-5-9)14-10-6-7-18-13(10)17/h1-5,10-11,14H,6-8H2,(H,15,16)/t10?,11-/m0/s1
InChIKeyFNQXPWWBAICZPP-DTIOYNMSSA-N
XLogP0.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-phenylethylamino)oxolan-2-one
CID 43823897
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
2-(2-oxooxolan-3-yl)sulfanyl-3-phenylpropanoic acid
CID 54919408
3-oxo-N-[(3R)-2-oxooxolan-3-yl]-4-phenylbutanamide
CID 11499897
(2R)-3-phenyl-2-[(4-propan-2-ylcyclohexyl)amino]propanoic acid
CID 122037958
(2R)-2-[(3-methyloxolane-2-carbonyl)amino]-3-phenylpropanoic acid
CID 104901954
N-[(3S)-2-oxooxolan-3-yl]-6-phenylhexanamide
CID 25258810
(2S)-2-(oxan-4-ylsulfonylamino)-3-phenylpropanoic acid
CID 62048619
(2R)-2-[(3-benzylcyclopentyl)amino]-3-phenylpropanoic acid
CID 122037860
1-benzyl-3-[(3S)-2-oxooxolan-3-yl]thiourea
CID 7638193
(2R)-3-phenyl-2-(phosphanylamino)propanoic acid
CID 70012014
(2R)-2-[[4-(1,3-dioxoisoindol-2-yl)cyclohexyl]amino]-3-phenylpropanoic acid
CID 122037836

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-oxooxolan-3-yl)amino]-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-[(2-oxooxolan-3-yl)amino]-3-phenylpropanoic acid (CID 18635454) is (2S)-2-[(2-oxooxolan-3-yl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-[(2-oxooxolan-3-yl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-[(2-oxooxolan-3-yl)amino]-3-phenylpropanoic acid is O=C1OCCC1N[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-[(2-oxooxolan-3-yl)amino]-3-phenylpropanoic acid?
The InChIKey is FNQXPWWBAICZPP-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H15NO4/c15-12(16)11(8-9-4-2-1-3-5-9)14-10-6-7-18-13(10)17/h1-5,10-11,14H,6-8H2,(H,15,16)/t10?,11-/m0/s1.
What are the key properties of (2S)-2-[(2-oxooxolan-3-yl)amino]-3-phenylpropanoic acid?
(2S)-2-[(2-oxooxolan-3-yl)amino]-3-phenylpropanoic acid has a molecular weight of 249.27 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-oxooxolan-3-yl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 18635454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).