3-(oxane-4-carbonylamino)-2-phenylpropanoic acid

C15H19NO4 — CID 62883844

IUPAC3-(oxane-4-carbonylamino)-2-phenylpropanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)C1CCOCC1
InChIInChI=1S/C15H19NO4/c17-14(12-6-8-20-9-7-12)16-10-13(15(18)19)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,17)(H,18,19)
InChIKeyWMFUBUDPLFIFMU-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.40
Rot. Bonds5

About 3-(oxane-4-carbonylamino)-2-phenylpropanoic acid

3-(oxane-4-carbonylamino)-2-phenylpropanoic acid (PubChem CID 62883844) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-(oxane-4-carbonylamino)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(oxane-4-carbonylamino)-2-phenylpropanoic acid
PubChem CID62883844
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name3-(oxane-4-carbonylamino)-2-phenylpropanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)C1CCOCC1
InChIInChI=1S/C15H19NO4/c17-14(12-6-8-20-9-7-12)16-10-13(15(18)19)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,17)(H,18,19)
InChIKeyWMFUBUDPLFIFMU-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylpropanoic acid
CID 75429616
3-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylpropanoic acid
CID 119254948
N-(3-amino-3-phenylpropyl)oxane-4-carboxamide
CID 80506614
(2S)-2-(oxane-4-carbonylamino)-2-phenylacetic acid
CID 28778740
3-[(5-methyloxolane-2-carbonyl)amino]-2-phenylpropanoic acid
CID 81324458
N-(2-morpholin-4-yl-2-phenylethyl)cyclobutanecarboxamide
CID 42948395
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396
2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 104901121
N-(2-hydroxy-2-naphthalen-2-ylethyl)oxane-4-carboxamide
CID 111112227
3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2-phenylpropanoic acid
CID 62883678
2-phenyl-3-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
CID 104913877
3-[(2,2-dimethylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid
CID 107175424

Frequently Asked Questions

What is the IUPAC name of 3-(oxane-4-carbonylamino)-2-phenylpropanoic acid?
The IUPAC name of 3-(oxane-4-carbonylamino)-2-phenylpropanoic acid (CID 62883844) is 3-(oxane-4-carbonylamino)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(oxane-4-carbonylamino)-2-phenylpropanoic acid?
The canonical SMILES for 3-(oxane-4-carbonylamino)-2-phenylpropanoic acid is O=C(NCC(C(=O)O)c1ccccc1)C1CCOCC1.
What is the InChIKey of 3-(oxane-4-carbonylamino)-2-phenylpropanoic acid?
The InChIKey is WMFUBUDPLFIFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14(12-6-8-20-9-7-12)16-10-13(15(18)19)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,17)(H,18,19).
What are the key properties of 3-(oxane-4-carbonylamino)-2-phenylpropanoic acid?
3-(oxane-4-carbonylamino)-2-phenylpropanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxane-4-carbonylamino)-2-phenylpropanoic acid is sourced from PubChem (CID 62883844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).