methyl (2R)-2-(cyclobutanecarbonylamino)-2-phenylbutanoate

C16H21NO3 — CID 95304784

IUPACmethyl (2R)-2-(cyclobutanecarbonylamino)-2-phenylbutanoate
SMILESCC[C@](NC(=O)C1CCC1)(C(=O)OC)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-3-16(15(19)20-2,13-10-5-4-6-11-13)17-14(18)12-8-7-9-12/h4-6,10-12H,3,7-9H2,1-2H3,(H,17,18)/t16-/m1/s1
InChIKeyBEPBZIBCVPQICB-MRXNPFEDSA-N
MW275.35 g/mol
LogP2.38
Rot. Bonds5

About methyl (2R)-2-(cyclobutanecarbonylamino)-2-phenylbutanoate

methyl (2R)-2-(cyclobutanecarbonylamino)-2-phenylbutanoate (PubChem CID 95304784) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is methyl (2R)-2-(cyclobutanecarbonylamino)-2-phenylbutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(cyclobutanecarbonylamino)-2-phenylbutanoate
PubChem CID95304784
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namemethyl (2R)-2-(cyclobutanecarbonylamino)-2-phenylbutanoate
SMILESCC[C@](NC(=O)C1CCC1)(C(=O)OC)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-3-16(15(19)20-2,13-10-5-4-6-11-13)17-14(18)12-8-7-9-12/h4-6,10-12H,3,7-9H2,1-2H3,(H,17,18)/t16-/m1/s1
InChIKeyBEPBZIBCVPQICB-MRXNPFEDSA-N
XLogP2.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2-(thiane-4-carbonylamino)butanoic acid
CID 120519058
methyl 2-phenyl-2-(propan-2-ylamino)butanoate
CID 60786838
2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-2-phenylbutanoic acid
CID 119201732
2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119202118
methyl (2S)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-phenylbutanoate
CID 95308682
N-(1-bromo-2-phenylpropan-2-yl)cycloheptanecarboxamide
CID 105060197
methyl 3-(2-cyclobutylethoxy)-2-(methylamino)-2-phenylpropanoate
CID 106204595
methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070
2-(cycloheptanecarbonylamino)-2-phenylpropanoic acid
CID 62586316
N-(1-chloro-2-phenylpropan-2-yl)cyclooctanecarboxamide
CID 105059845
methyl 2-(cyclopentylamino)-2-(4-methylphenyl)butanoate
CID 60999109
methyl 3-(cyclopentylmethoxy)-2-(methylamino)-2-phenylpropanoate
CID 66321617

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(cyclobutanecarbonylamino)-2-phenylbutanoate?
The IUPAC name of methyl (2R)-2-(cyclobutanecarbonylamino)-2-phenylbutanoate (CID 95304784) is methyl (2R)-2-(cyclobutanecarbonylamino)-2-phenylbutanoate.
What is the SMILES notation for methyl (2R)-2-(cyclobutanecarbonylamino)-2-phenylbutanoate?
The canonical SMILES for methyl (2R)-2-(cyclobutanecarbonylamino)-2-phenylbutanoate is CC[C@](NC(=O)C1CCC1)(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl (2R)-2-(cyclobutanecarbonylamino)-2-phenylbutanoate?
The InChIKey is BEPBZIBCVPQICB-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-16(15(19)20-2,13-10-5-4-6-11-13)17-14(18)12-8-7-9-12/h4-6,10-12H,3,7-9H2,1-2H3,(H,17,18)/t16-/m1/s1.
What are the key properties of methyl (2R)-2-(cyclobutanecarbonylamino)-2-phenylbutanoate?
methyl (2R)-2-(cyclobutanecarbonylamino)-2-phenylbutanoate has a molecular weight of 275.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(cyclobutanecarbonylamino)-2-phenylbutanoate is sourced from PubChem (CID 95304784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).