2-methyl-2-(oxolane-3-carbonylamino)-3-phenoxypropanoic acid

C15H19NO5 — CID 154750527

IUPAC2-methyl-2-(oxolane-3-carbonylamino)-3-phenoxypropanoic acid
SMILESCC(COc1ccccc1)(NC(=O)C1CCOC1)C(=O)O
InChIInChI=1S/C15H19NO5/c1-15(14(18)19,10-21-12-5-3-2-4-6-12)16-13(17)11-7-8-20-9-11/h2-6,11H,7-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyHBJDNJROYKSCQD-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.06
Rot. Bonds6

About 2-methyl-2-(oxolane-3-carbonylamino)-3-phenoxypropanoic acid

2-methyl-2-(oxolane-3-carbonylamino)-3-phenoxypropanoic acid (PubChem CID 154750527) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-methyl-2-(oxolane-3-carbonylamino)-3-phenoxypropanoic acid.

Molecular Properties

Compound Name2-methyl-2-(oxolane-3-carbonylamino)-3-phenoxypropanoic acid
PubChem CID154750527
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-methyl-2-(oxolane-3-carbonylamino)-3-phenoxypropanoic acid
SMILESCC(COc1ccccc1)(NC(=O)C1CCOC1)C(=O)O
InChIInChI=1S/C15H19NO5/c1-15(14(18)19,10-21-12-5-3-2-4-6-12)16-13(17)11-7-8-20-9-11/h2-6,11H,7-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyHBJDNJROYKSCQD-UHFFFAOYSA-N
XLogP1.06
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

Analyze 2-methyl-2-(oxolane-3-carbonylamino)-3-phenoxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methyl-2-(2-phenoxyacetamido)butanoic acid
CID 2942249
(2S)-3-methyl-2-(2-phenoxyacetamido)butanoic acid
CID 749024
4-Methyl-2-[(phenoxyacetyl)amino]pentanoic acid
CID 2770853
(2S)-2-(3-phenoxypropanoylamino)propanoic acid
CID 42254573
(2S)-3-methyl-2-(3-phenoxypropanoylamino)butanoic acid
CID 42255615
3-Methoxycarbonyl-3-[(2-phenoxyacetyl)amino]pentanedioic acid
CID 45268734
N-Phenoxyacetyl-L-leucin
CID 2049204
N-Acetyl-O-phenyl-L-serine
CID 53888198
(4-Fluorophenyl) 4-hydroxy-2,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 175066115
Diphenyl 2-[2-t-butylamino-1-methoxy-2-oxo-ethyl]malonate
CID 12130797
2-[3-(2-Fluorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 43091756
2-[3-(2-Fluorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 43091871

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxolane-3-carbonylamino)-3-phenoxypropanoic acid?
The IUPAC name of 2-methyl-2-(oxolane-3-carbonylamino)-3-phenoxypropanoic acid (CID 154750527) is 2-methyl-2-(oxolane-3-carbonylamino)-3-phenoxypropanoic acid.
What is the SMILES notation for 2-methyl-2-(oxolane-3-carbonylamino)-3-phenoxypropanoic acid?
The canonical SMILES for 2-methyl-2-(oxolane-3-carbonylamino)-3-phenoxypropanoic acid is CC(COc1ccccc1)(NC(=O)C1CCOC1)C(=O)O.
What is the InChIKey of 2-methyl-2-(oxolane-3-carbonylamino)-3-phenoxypropanoic acid?
The InChIKey is HBJDNJROYKSCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-15(14(18)19,10-21-12-5-3-2-4-6-12)16-13(17)11-7-8-20-9-11/h2-6,11H,7-10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-2-(oxolane-3-carbonylamino)-3-phenoxypropanoic acid?
2-methyl-2-(oxolane-3-carbonylamino)-3-phenoxypropanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxolane-3-carbonylamino)-3-phenoxypropanoic acid is sourced from PubChem (CID 154750527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).