3-[(5-methyloxolane-2-carbonyl)amino]-2-phenylpropanoic acid

C15H19NO4 — CID 81324458

IUPAC3-[(5-methyloxolane-2-carbonyl)amino]-2-phenylpropanoic acid
SMILESCC1CCC(C(=O)NCC(C(=O)O)c2ccccc2)O1
InChIInChI=1S/C15H19NO4/c1-10-7-8-13(20-10)14(17)16-9-12(15(18)19)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,16,17)(H,18,19)
InChIKeySWGMBGVEXYWIEV-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.54
Rot. Bonds5

About 3-[(5-methyloxolane-2-carbonyl)amino]-2-phenylpropanoic acid

3-[(5-methyloxolane-2-carbonyl)amino]-2-phenylpropanoic acid (PubChem CID 81324458) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[(5-methyloxolane-2-carbonyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(5-methyloxolane-2-carbonyl)amino]-2-phenylpropanoic acid
PubChem CID81324458
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name3-[(5-methyloxolane-2-carbonyl)amino]-2-phenylpropanoic acid
SMILESCC1CCC(C(=O)NCC(C(=O)O)c2ccccc2)O1
InChIInChI=1S/C15H19NO4/c1-10-7-8-13(20-10)14(17)16-9-12(15(18)19)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,16,17)(H,18,19)
InChIKeySWGMBGVEXYWIEV-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(5-methyloxolane-2-carbonyl)amino]-2-phenylpropanoic 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

2-[[(5-methyloxolane-2-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 120527172
3-(oxane-4-carbonylamino)-2-phenylpropanoic acid
CID 62883844
N-(2-amino-1-phenylethyl)-5-methyloxolane-2-carboxamide
CID 81327038
3-[(2,2-dimethylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid
CID 107175424
2-phenyl-3-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 104901121
(3S)-5-methyl-3-[[(5-methyloxolane-2-carbonyl)amino]methyl]hexanoic acid
CID 81324785
2-chloro-1-(5-methyloxolan-2-yl)-2-phenylethanone
CID 81329855
N-(3-amino-2-methylpropyl)-5-methyloxolane-2-carboxamide
CID 81324675
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
5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide
CID 103773766
3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylpropanoic acid
CID 75429616

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyloxolane-2-carbonyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[(5-methyloxolane-2-carbonyl)amino]-2-phenylpropanoic acid (CID 81324458) is 3-[(5-methyloxolane-2-carbonyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(5-methyloxolane-2-carbonyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[(5-methyloxolane-2-carbonyl)amino]-2-phenylpropanoic acid is CC1CCC(C(=O)NCC(C(=O)O)c2ccccc2)O1.
What is the InChIKey of 3-[(5-methyloxolane-2-carbonyl)amino]-2-phenylpropanoic acid?
The InChIKey is SWGMBGVEXYWIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-7-8-13(20-10)14(17)16-9-12(15(18)19)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(5-methyloxolane-2-carbonyl)amino]-2-phenylpropanoic acid?
3-[(5-methyloxolane-2-carbonyl)amino]-2-phenylpropanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyloxolane-2-carbonyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 81324458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).