3-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylpropanoic acid

C15H19NO4 — CID 65157429

IUPAC3-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylpropanoic acid
SMILESO=C(CC1CCCO1)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H19NO4/c17-14(9-12-7-4-8-20-12)16-10-13(15(18)19)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,17)(H,18,19)
InChIKeyYOTFAOXJQGFORO-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.54
Rot. Bonds6

About 3-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylpropanoic acid

3-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylpropanoic acid (PubChem CID 65157429) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylpropanoic acid
PubChem CID65157429
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name3-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylpropanoic acid
SMILESO=C(CC1CCCO1)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H19NO4/c17-14(9-12-7-4-8-20-12)16-10-13(15(18)19)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,17)(H,18,19)
InChIKeyYOTFAOXJQGFORO-UHFFFAOYSA-N
XLogP1.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-2-phenylethyl)-2-(oxolan-2-yl)acetamide
CID 113271343
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 103804697
(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 65156988
(2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid
CID 124559457
(2S)-2-hydroxy-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 107833848
3-[2-(oxan-2-ylmethoxy)propanoylamino]-2-phenylpropanoic acid
CID 119254705
2-(naphthalen-2-ylmethyl)-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 119245385
N-(2-benzylsulfonylethyl)-2-[(2S)-oxolan-2-yl]acetamide
CID 94175675
3-[[2-(1,4-dithian-2-yl)acetyl]amino]-2-phenylpropanoic acid
CID 120528850
3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-phenylpropanoic acid
CID 119254834
methyl 3-[2-(oxolan-2-yl)ethylamino]-2-phenylpropanoate
CID 64567904
3-(oxane-4-carbonylamino)-2-phenylpropanoic acid
CID 62883844

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylpropanoic acid (CID 65157429) is 3-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylpropanoic acid is O=C(CC1CCCO1)NCC(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylpropanoic acid?
The InChIKey is YOTFAOXJQGFORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14(9-12-7-4-8-20-12)16-10-13(15(18)19)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,17)(H,18,19).
What are the key properties of 3-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylpropanoic acid?
3-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylpropanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylpropanoic acid is sourced from PubChem (CID 65157429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).