4-(4-phenoxybutanoylamino)oxolane-3-carboxylic acid

C15H19NO5 — CID 66221172

IUPAC4-(4-phenoxybutanoylamino)oxolane-3-carboxylic acid
SMILESO=C(CCCOc1ccccc1)NC1COCC1C(=O)O
InChIInChI=1S/C15H19NO5/c17-14(16-13-10-20-9-12(13)15(18)19)7-4-8-21-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,17)(H,18,19)
InChIKeyVUJCDQDKRDUGON-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.06
Rot. Bonds7

About 4-(4-phenoxybutanoylamino)oxolane-3-carboxylic acid

4-(4-phenoxybutanoylamino)oxolane-3-carboxylic acid (PubChem CID 66221172) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-(4-phenoxybutanoylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-phenoxybutanoylamino)oxolane-3-carboxylic acid
PubChem CID66221172
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name4-(4-phenoxybutanoylamino)oxolane-3-carboxylic acid
SMILESO=C(CCCOc1ccccc1)NC1COCC1C(=O)O
InChIInChI=1S/C15H19NO5/c17-14(16-13-10-20-9-12(13)15(18)19)7-4-8-21-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,17)(H,18,19)
InChIKeyVUJCDQDKRDUGON-UHFFFAOYSA-N
XLogP1.06
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(2-fluorophenoxy)propanoylamino]oxolane-3-carboxylic acid
CID 66220969
2-[(3R,4S)-3-(4-phenoxybutanoylamino)oxan-4-yl]oxyacetic acid
CID 91788296
N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-4-phenoxybutanamide
CID 110637540
4-[3-(2-chlorophenyl)propanoylamino]oxolane-3-carboxylic acid
CID 66222677
3-phenoxy-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]propanamide
CID 91788231
4-[[2-(2,6-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 66221815
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-phenoxybutanamide
CID 90651583
4-[methyl(3-phenoxypropanoyl)amino]oxolane-3-carboxylic acid
CID 66238376
4-[[2-(3-hydroxyphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66221632
N-methyl-4-(methylamino)-N-(3-phenoxypropyl)oxolane-3-carboxamide
CID 66264833
4-(naphthalene-2-carbonylamino)oxolane-3-carboxylic acid
CID 66223547
4-[[ethyl(phenyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66240338

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenoxybutanoylamino)oxolane-3-carboxylic acid?
The IUPAC name of 4-(4-phenoxybutanoylamino)oxolane-3-carboxylic acid (CID 66221172) is 4-(4-phenoxybutanoylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 4-(4-phenoxybutanoylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 4-(4-phenoxybutanoylamino)oxolane-3-carboxylic acid is O=C(CCCOc1ccccc1)NC1COCC1C(=O)O.
What is the InChIKey of 4-(4-phenoxybutanoylamino)oxolane-3-carboxylic acid?
The InChIKey is VUJCDQDKRDUGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c17-14(16-13-10-20-9-12(13)15(18)19)7-4-8-21-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,16,17)(H,18,19).
What are the key properties of 4-(4-phenoxybutanoylamino)oxolane-3-carboxylic acid?
4-(4-phenoxybutanoylamino)oxolane-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenoxybutanoylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66221172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).