methyl (2R,3R)-3-(cyclobutanecarbonylamino)-2-methoxy-3-phenylpropanoate

C16H21NO4 — CID 58631028

IUPACmethyl (2R,3R)-3-(cyclobutanecarbonylamino)-2-methoxy-3-phenylpropanoate
SMILESCOC(=O)[C@H](OC)[C@H](NC(=O)C1CCC1)c1ccccc1
InChIInChI=1S/C16H21NO4/c1-20-14(16(19)21-2)13(11-7-4-3-5-8-11)17-15(18)12-9-6-10-12/h3-5,7-8,12-14H,6,9-10H2,1-2H3,(H,17,18)/t13-,14-/m1/s1
InChIKeyGTJISXOVYYJLRN-ZIAGYGMSSA-N
MW291.35 g/mol
LogP1.83
Rot. Bonds6

About methyl (2R,3R)-3-(cyclobutanecarbonylamino)-2-methoxy-3-phenylpropanoate

methyl (2R,3R)-3-(cyclobutanecarbonylamino)-2-methoxy-3-phenylpropanoate (PubChem CID 58631028) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl (2R,3R)-3-(cyclobutanecarbonylamino)-2-methoxy-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-(cyclobutanecarbonylamino)-2-methoxy-3-phenylpropanoate
PubChem CID58631028
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namemethyl (2R,3R)-3-(cyclobutanecarbonylamino)-2-methoxy-3-phenylpropanoate
SMILESCOC(=O)[C@H](OC)[C@H](NC(=O)C1CCC1)c1ccccc1
InChIInChI=1S/C16H21NO4/c1-20-14(16(19)21-2)13(11-7-4-3-5-8-11)17-15(18)12-9-6-10-12/h3-5,7-8,12-14H,6,9-10H2,1-2H3,(H,17,18)/t13-,14-/m1/s1
InChIKeyGTJISXOVYYJLRN-ZIAGYGMSSA-N
XLogP1.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-3-phenyl-3-(piperidine-4-carbonylamino)propanoate
CID 119343555
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CID 63184812
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021
N-[cyano(phenyl)methyl]cyclobutanecarboxamide
CID 60699487
N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide
CID 30906945
N-[(R)-cyclohexyl(phenyl)methyl]cyclobutanecarboxamide
CID 39025533
3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide
CID 63043944
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
N-[(1S)-1-(4-phenylphenyl)ethyl]cyclobutanecarboxamide
CID 25381115
N-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide
CID 8798133
methyl (2R)-2-(cyclobutanecarbonylamino)-2-[2-(trifluoromethyl)phenyl]acetate
CID 95140162

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-(cyclobutanecarbonylamino)-2-methoxy-3-phenylpropanoate?
The IUPAC name of methyl (2R,3R)-3-(cyclobutanecarbonylamino)-2-methoxy-3-phenylpropanoate (CID 58631028) is methyl (2R,3R)-3-(cyclobutanecarbonylamino)-2-methoxy-3-phenylpropanoate.
What is the SMILES notation for methyl (2R,3R)-3-(cyclobutanecarbonylamino)-2-methoxy-3-phenylpropanoate?
The canonical SMILES for methyl (2R,3R)-3-(cyclobutanecarbonylamino)-2-methoxy-3-phenylpropanoate is COC(=O)[C@H](OC)[C@H](NC(=O)C1CCC1)c1ccccc1.
What is the InChIKey of methyl (2R,3R)-3-(cyclobutanecarbonylamino)-2-methoxy-3-phenylpropanoate?
The InChIKey is GTJISXOVYYJLRN-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H21NO4/c1-20-14(16(19)21-2)13(11-7-4-3-5-8-11)17-15(18)12-9-6-10-12/h3-5,7-8,12-14H,6,9-10H2,1-2H3,(H,17,18)/t13-,14-/m1/s1.
What are the key properties of methyl (2R,3R)-3-(cyclobutanecarbonylamino)-2-methoxy-3-phenylpropanoate?
methyl (2R,3R)-3-(cyclobutanecarbonylamino)-2-methoxy-3-phenylpropanoate has a molecular weight of 291.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-(cyclobutanecarbonylamino)-2-methoxy-3-phenylpropanoate is sourced from PubChem (CID 58631028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).