4-[(4-hydroxyphenyl)methylcarbamoylamino]oxane-4-carboxylic acid

C14H18N2O5 — CID 106528154

IUPAC4-[(4-hydroxyphenyl)methylcarbamoylamino]oxane-4-carboxylic acid
SMILESO=C(NCc1ccc(O)cc1)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C14H18N2O5/c17-11-3-1-10(2-4-11)9-15-13(20)16-14(12(18)19)5-7-21-8-6-14/h1-4,17H,5-9H2,(H,18,19)(H2,15,16,20)
InChIKeyFDYNCVANCGZLOD-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.83
Rot. Bonds4

About 4-[(4-hydroxyphenyl)methylcarbamoylamino]oxane-4-carboxylic acid

4-[(4-hydroxyphenyl)methylcarbamoylamino]oxane-4-carboxylic acid (PubChem CID 106528154) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)methylcarbamoylamino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)methylcarbamoylamino]oxane-4-carboxylic acid
PubChem CID106528154
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name4-[(4-hydroxyphenyl)methylcarbamoylamino]oxane-4-carboxylic acid
SMILESO=C(NCc1ccc(O)cc1)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C14H18N2O5/c17-11-3-1-10(2-4-11)9-15-13(20)16-14(12(18)19)5-7-21-8-6-14/h1-4,17H,5-9H2,(H,18,19)(H2,15,16,20)
InChIKeyFDYNCVANCGZLOD-UHFFFAOYSA-N
XLogP0.83
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-hydroxybenzoyl)amino]oxane-4-carboxylic acid
CID 115291748
4-(2-phenylethylcarbamoylamino)oxane-4-carboxylic acid
CID 115292784
3-[(6-methyl-3-pyridinyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 64892061
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]oxane-4-carboxylic acid
CID 115293169
3-(pyridin-3-ylmethylcarbamoylamino)oxolane-3-carboxylic acid
CID 64890825
4-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]oxane-4-carboxylic acid
CID 115293006
4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]oxane-4-carboxylic acid
CID 113280419
4-[2-(dimethylamino)propylcarbamoylamino]oxane-4-carboxylic acid
CID 115293093
4-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]oxane-4-carboxylic acid
CID 115293009
4-(cyclopentylmethylcarbamoylamino)oxane-4-carboxylic acid
CID 115292855
1-[(3-chloro-4-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 62531746
4-(5,5,5-trifluoropentylcarbamoylamino)oxane-4-carboxylic acid
CID 115521401

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)methylcarbamoylamino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(4-hydroxyphenyl)methylcarbamoylamino]oxane-4-carboxylic acid (CID 106528154) is 4-[(4-hydroxyphenyl)methylcarbamoylamino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(4-hydroxyphenyl)methylcarbamoylamino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(4-hydroxyphenyl)methylcarbamoylamino]oxane-4-carboxylic acid is O=C(NCc1ccc(O)cc1)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[(4-hydroxyphenyl)methylcarbamoylamino]oxane-4-carboxylic acid?
The InChIKey is FDYNCVANCGZLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c17-11-3-1-10(2-4-11)9-15-13(20)16-14(12(18)19)5-7-21-8-6-14/h1-4,17H,5-9H2,(H,18,19)(H2,15,16,20).
What are the key properties of 4-[(4-hydroxyphenyl)methylcarbamoylamino]oxane-4-carboxylic acid?
4-[(4-hydroxyphenyl)methylcarbamoylamino]oxane-4-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)methylcarbamoylamino]oxane-4-carboxylic acid is sourced from PubChem (CID 106528154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).