4-(2-phenylethylcarbamoylamino)oxane-4-carboxylic acid

C15H20N2O4 — CID 115292784

IUPAC4-(2-phenylethylcarbamoylamino)oxane-4-carboxylic acid
SMILESO=C(NCCc1ccccc1)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C15H20N2O4/c18-13(19)15(7-10-21-11-8-15)17-14(20)16-9-6-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,18,19)(H2,16,17,20)
InChIKeyPKSPCAKSHURIAH-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.16
Rot. Bonds5

About 4-(2-phenylethylcarbamoylamino)oxane-4-carboxylic acid

4-(2-phenylethylcarbamoylamino)oxane-4-carboxylic acid (PubChem CID 115292784) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-(2-phenylethylcarbamoylamino)oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-phenylethylcarbamoylamino)oxane-4-carboxylic acid
PubChem CID115292784
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-(2-phenylethylcarbamoylamino)oxane-4-carboxylic acid
SMILESO=C(NCCc1ccccc1)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C15H20N2O4/c18-13(19)15(7-10-21-11-8-15)17-14(20)16-9-6-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,18,19)(H2,16,17,20)
InChIKeyPKSPCAKSHURIAH-UHFFFAOYSA-N
XLogP1.16
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(cyclopenten-1-yl)ethylcarbamoylamino]oxane-4-carboxylic acid
CID 106178328
4-[(4-hydroxyphenyl)methylcarbamoylamino]oxane-4-carboxylic acid
CID 106528154
4-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]oxane-4-carboxylic acid
CID 115293095
1-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 79756956
4-[[(2R)-2-amino-3-phenylpropanoyl]amino]oxane-4-carboxylic acid
CID 115292457
4-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]oxane-4-carboxylic acid
CID 115293086
4-(2-propan-2-yloxyethylcarbamoylamino)oxane-4-carboxylic acid
CID 104763802
4-(5,5,5-trifluoropentylcarbamoylamino)oxane-4-carboxylic acid
CID 115521401
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]oxane-4-carboxylic acid
CID 115293281
4-(2-cyclohexylethylcarbamoylamino)oxane-4-carboxylic acid
CID 115292915
3-(pyridin-3-ylmethylcarbamoylamino)oxolane-3-carboxylic acid
CID 64890825
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]oxane-4-carboxylic acid
CID 115293169

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethylcarbamoylamino)oxane-4-carboxylic acid?
The IUPAC name of 4-(2-phenylethylcarbamoylamino)oxane-4-carboxylic acid (CID 115292784) is 4-(2-phenylethylcarbamoylamino)oxane-4-carboxylic acid.
What is the SMILES notation for 4-(2-phenylethylcarbamoylamino)oxane-4-carboxylic acid?
The canonical SMILES for 4-(2-phenylethylcarbamoylamino)oxane-4-carboxylic acid is O=C(NCCc1ccccc1)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-(2-phenylethylcarbamoylamino)oxane-4-carboxylic acid?
The InChIKey is PKSPCAKSHURIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-13(19)15(7-10-21-11-8-15)17-14(20)16-9-6-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,18,19)(H2,16,17,20).
What are the key properties of 4-(2-phenylethylcarbamoylamino)oxane-4-carboxylic acid?
4-(2-phenylethylcarbamoylamino)oxane-4-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethylcarbamoylamino)oxane-4-carboxylic acid is sourced from PubChem (CID 115292784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).