ethyl 3-methyl-1-[[(1R)-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylate

C17H23NO3 — CID 15577140

IUPACethyl 3-methyl-1-[[(1R)-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(C(=O)N[C@H](C)c2ccccc2)CC(C)C1
InChIInChI=1S/C17H23NO3/c1-4-21-16(20)17(10-12(2)11-17)15(19)18-13(3)14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,18,19)/t12?,13-,17?/m1/s1
InChIKeyRTRZEVDKDPWDNW-UIORMTCPSA-N
MW289.38 g/mol
LogP2.84
Rot. Bonds5

About ethyl 3-methyl-1-[[(1R)-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylate

ethyl 3-methyl-1-[[(1R)-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylate (PubChem CID 15577140) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is ethyl 3-methyl-1-[[(1R)-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-1-[[(1R)-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylate
PubChem CID15577140
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nameethyl 3-methyl-1-[[(1R)-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(C(=O)N[C@H](C)c2ccccc2)CC(C)C1
InChIInChI=1S/C17H23NO3/c1-4-21-16(20)17(10-12(2)11-17)15(19)18-13(3)14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,18,19)/t12?,13-,17?/m1/s1
InChIKeyRTRZEVDKDPWDNW-UIORMTCPSA-N
XLogP2.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-1-[[(1R)-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylate?
The IUPAC name of ethyl 3-methyl-1-[[(1R)-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylate (CID 15577140) is ethyl 3-methyl-1-[[(1R)-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 3-methyl-1-[[(1R)-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 3-methyl-1-[[(1R)-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylate is CCOC(=O)C1(C(=O)N[C@H](C)c2ccccc2)CC(C)C1.
What is the InChIKey of ethyl 3-methyl-1-[[(1R)-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylate?
The InChIKey is RTRZEVDKDPWDNW-UIORMTCPSA-N. The full InChI is InChI=1S/C17H23NO3/c1-4-21-16(20)17(10-12(2)11-17)15(19)18-13(3)14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,18,19)/t12?,13-,17?/m1/s1.
What are the key properties of ethyl 3-methyl-1-[[(1R)-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylate?
ethyl 3-methyl-1-[[(1R)-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-1-[[(1R)-1-phenylethyl]carbamoyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 15577140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).