2-(oxolan-2-ylmethylcarbamoylamino)-2-phenylpropanoic acid

C15H20N2O4 — CID 16786304

IUPAC2-(oxolan-2-ylmethylcarbamoylamino)-2-phenylpropanoic acid
SMILESCC(NC(=O)NCC1CCCO1)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-15(13(18)19,11-6-3-2-4-7-11)17-14(20)16-10-12-8-5-9-21-12/h2-4,6-7,12H,5,8-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyXKWYQRLGSSQIIG-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.46
Rot. Bonds5

About 2-(oxolan-2-ylmethylcarbamoylamino)-2-phenylpropanoic acid

2-(oxolan-2-ylmethylcarbamoylamino)-2-phenylpropanoic acid (PubChem CID 16786304) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylcarbamoylamino)-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylcarbamoylamino)-2-phenylpropanoic acid
PubChem CID16786304
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-(oxolan-2-ylmethylcarbamoylamino)-2-phenylpropanoic acid
SMILESCC(NC(=O)NCC1CCCO1)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-15(13(18)19,11-6-3-2-4-7-11)17-14(20)16-10-12-8-5-9-21-12/h2-4,6-7,12H,5,8-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyXKWYQRLGSSQIIG-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(oxolan-2-ylmethylcarbamoylamino)-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-methyl-N-(oxolan-2-ylmethyl)-2,3-diphenylpropanamide
CID 110299379
1-[2-(4-chlorophenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)urea
CID 113216252
2-amino-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-2-phenylpropanamide;hydrochloride
CID 120587797
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
1-[2-methyl-2-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethyl)urea
CID 113214152
2-(2-hydroxy-2-phenylpropyl)-1-(oxolan-2-ylmethyl)guanidine
CID 111335963
1-(oxolan-2-ylmethyl)-3-(1-phenylcyclopentyl)urea
CID 110676481
1-(2-methylsulfanylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 92967958
(2R)-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-N-phenylpropanamide
CID 95767130
1-(oxolan-2-ylmethyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108914981
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylcarbamoylamino)-2-phenylpropanoic acid?
The IUPAC name of 2-(oxolan-2-ylmethylcarbamoylamino)-2-phenylpropanoic acid (CID 16786304) is 2-(oxolan-2-ylmethylcarbamoylamino)-2-phenylpropanoic acid.
What is the SMILES notation for 2-(oxolan-2-ylmethylcarbamoylamino)-2-phenylpropanoic acid?
The canonical SMILES for 2-(oxolan-2-ylmethylcarbamoylamino)-2-phenylpropanoic acid is CC(NC(=O)NCC1CCCO1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(oxolan-2-ylmethylcarbamoylamino)-2-phenylpropanoic acid?
The InChIKey is XKWYQRLGSSQIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(13(18)19,11-6-3-2-4-7-11)17-14(20)16-10-12-8-5-9-21-12/h2-4,6-7,12H,5,8-10H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-(oxolan-2-ylmethylcarbamoylamino)-2-phenylpropanoic acid?
2-(oxolan-2-ylmethylcarbamoylamino)-2-phenylpropanoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylcarbamoylamino)-2-phenylpropanoic acid is sourced from PubChem (CID 16786304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).