propan-2-yl 3-(oxolane-2-carbonylamino)-3-phenylpropanoate

C17H23NO4 — CID 43048320

IUPACpropan-2-yl 3-(oxolane-2-carbonylamino)-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)C1CCCO1)c1ccccc1
InChIInChI=1S/C17H23NO4/c1-12(2)22-16(19)11-14(13-7-4-3-5-8-13)18-17(20)15-9-6-10-21-15/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3,(H,18,20)
InChIKeyWBRXHGPRLNTDOC-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.36
Rot. Bonds6

About propan-2-yl 3-(oxolane-2-carbonylamino)-3-phenylpropanoate

propan-2-yl 3-(oxolane-2-carbonylamino)-3-phenylpropanoate (PubChem CID 43048320) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is propan-2-yl 3-(oxolane-2-carbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-(oxolane-2-carbonylamino)-3-phenylpropanoate
PubChem CID43048320
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namepropan-2-yl 3-(oxolane-2-carbonylamino)-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)C1CCCO1)c1ccccc1
InChIInChI=1S/C17H23NO4/c1-12(2)22-16(19)11-14(13-7-4-3-5-8-13)18-17(20)15-9-6-10-21-15/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3,(H,18,20)
InChIKeyWBRXHGPRLNTDOC-UHFFFAOYSA-N
XLogP2.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-amino-1-phenylethyl]oxolane-2-carboxamide
CID 57091313
N-(2-amino-1-phenylethyl)oxolane-2-carboxamide
CID 55242926
(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide
CID 896917
propan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate
CID 119274330
methyl (3R)-3-(4-methylsulfanylphenyl)-3-[[(2S)-oxolane-2-carbonyl]amino]propanoate
CID 95304839
(3R)-3-(3-bromophenyl)-3-[[(2S)-oxolane-2-carbonyl]amino]propanoic acid
CID 124704259
propan-2-yl 3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-3-phenylpropanoate;hydrochloride
CID 120618939
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[[(2S)-oxolane-2-carbonyl]amino]propanoate
CID 94016796
propan-2-yl 3-phenyl-3-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]propanoate
CID 47043068
propan-2-yl (3R)-3-[[(2S)-6-azaspiro[2.5]octane-2-carbonyl]amino]-3-phenylpropanoate
CID 99640689
(2R)-N-[(1R)-1-(2-propan-2-yloxyphenyl)propyl]oxolane-2-carboxamide
CID 51947949
propan-2-yl 3-[[2-(2-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoate
CID 134009754

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(oxolane-2-carbonylamino)-3-phenylpropanoate?
The IUPAC name of propan-2-yl 3-(oxolane-2-carbonylamino)-3-phenylpropanoate (CID 43048320) is propan-2-yl 3-(oxolane-2-carbonylamino)-3-phenylpropanoate.
What is the SMILES notation for propan-2-yl 3-(oxolane-2-carbonylamino)-3-phenylpropanoate?
The canonical SMILES for propan-2-yl 3-(oxolane-2-carbonylamino)-3-phenylpropanoate is CC(C)OC(=O)CC(NC(=O)C1CCCO1)c1ccccc1.
What is the InChIKey of propan-2-yl 3-(oxolane-2-carbonylamino)-3-phenylpropanoate?
The InChIKey is WBRXHGPRLNTDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-12(2)22-16(19)11-14(13-7-4-3-5-8-13)18-17(20)15-9-6-10-21-15/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3,(H,18,20).
What are the key properties of propan-2-yl 3-(oxolane-2-carbonylamino)-3-phenylpropanoate?
propan-2-yl 3-(oxolane-2-carbonylamino)-3-phenylpropanoate has a molecular weight of 305.37 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(oxolane-2-carbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 43048320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).