methyl (2R)-2-[4-(cyclopropanecarbonyl)phenyl]propanoate

C14H16O3 — CID 125466574

IUPACmethyl (2R)-2-[4-(cyclopropanecarbonyl)phenyl]propanoate
SMILESCOC(=O)[C@H](C)c1ccc(C(=O)C2CC2)cc1
InChIInChI=1S/C14H16O3/c1-9(14(16)17-2)10-3-5-11(6-4-10)13(15)12-7-8-12/h3-6,9,12H,7-8H2,1-2H3/t9-/m1/s1
InChIKeyBBNGGSAIXZGQRG-SECBINFHSA-N
MW232.28 g/mol
LogP2.56
Rot. Bonds4

About methyl (2R)-2-[4-(cyclopropanecarbonyl)phenyl]propanoate

methyl (2R)-2-[4-(cyclopropanecarbonyl)phenyl]propanoate (PubChem CID 125466574) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl (2R)-2-[4-(cyclopropanecarbonyl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[4-(cyclopropanecarbonyl)phenyl]propanoate
PubChem CID125466574
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Namemethyl (2R)-2-[4-(cyclopropanecarbonyl)phenyl]propanoate
SMILESCOC(=O)[C@H](C)c1ccc(C(=O)C2CC2)cc1
InChIInChI=1S/C14H16O3/c1-9(14(16)17-2)10-3-5-11(6-4-10)13(15)12-7-8-12/h3-6,9,12H,7-8H2,1-2H3/t9-/m1/s1
InChIKeyBBNGGSAIXZGQRG-SECBINFHSA-N
XLogP2.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopropanecarbonyl)phenyl]-N-methoxy-N-methylpropanamide
CID 10199116
(2S)-2-[4-(cyclohexanecarbonyl)phenyl]propanoic acid
CID 57323646
methyl 2-(4-aminophenyl)propanoate
CID 3016109
methyl 2-[4-(1-cyano-2-methylpropyl)phenyl]propanoate
CID 134840373
methyl 2-(4-formamidophenyl)propanoate
CID 11356229
2-[4-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]phenyl]propanoic acid;hydrochloride
CID 70499605
methyl 2-[4-(1-iodo-2-methylpropyl)phenyl]propanoate
CID 163571659
methyl 2-[4-(1-oxopropan-2-yl)phenyl]propanoate
CID 605628
oxan-4-yl-(4-propan-2-ylphenyl)methanone
CID 62905290
methyl 2-[4-(iodomethyl)phenyl]propanoate
CID 142631167
methyl 2-[4-(carbamoylamino)phenyl]propanoate
CID 67303594
2-[4-(cyclopropanecarbonyl)phenyl]ethyl 2-methylpropanoate
CID 175396158

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[4-(cyclopropanecarbonyl)phenyl]propanoate?
The IUPAC name of methyl (2R)-2-[4-(cyclopropanecarbonyl)phenyl]propanoate (CID 125466574) is methyl (2R)-2-[4-(cyclopropanecarbonyl)phenyl]propanoate.
What is the SMILES notation for methyl (2R)-2-[4-(cyclopropanecarbonyl)phenyl]propanoate?
The canonical SMILES for methyl (2R)-2-[4-(cyclopropanecarbonyl)phenyl]propanoate is COC(=O)[C@H](C)c1ccc(C(=O)C2CC2)cc1.
What is the InChIKey of methyl (2R)-2-[4-(cyclopropanecarbonyl)phenyl]propanoate?
The InChIKey is BBNGGSAIXZGQRG-SECBINFHSA-N. The full InChI is InChI=1S/C14H16O3/c1-9(14(16)17-2)10-3-5-11(6-4-10)13(15)12-7-8-12/h3-6,9,12H,7-8H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-[4-(cyclopropanecarbonyl)phenyl]propanoate?
methyl (2R)-2-[4-(cyclopropanecarbonyl)phenyl]propanoate has a molecular weight of 232.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[4-(cyclopropanecarbonyl)phenyl]propanoate is sourced from PubChem (CID 125466574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).