tert-butyl (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(cyclopropylmethyl)-4-oxobutanoate;tert-butyl 2-[(2R)-1-cyclopropyl-3-oxobutan-2-yl]-2-prop-2-enylpent-4-enoate;(2R)-2-(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylhex-5-enoic acid;(2R)-2-(cyclopropylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methanol

C72H111NO17 — CID 90781616

IUPACtert-butyl (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(cyclopropylmethyl)-4-oxobutanoate;tert-butyl 2-[(2R)-1-cyclopropyl-3-oxobutan-2-yl]-2-prop-2-enylpent-4-enoate;(2R)-2-(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylhex-5-enoic acid;(2R)-2-(cyclopropylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methanol
SMILESC=CCC(CC=C)(C(=O)OC(C)(C)C)[C@@H](CC1CC1)C(=O)O.C=CCC(CC=C)(C(=O)OC(C)(C)C)[C@@H](CC1CC1)C(C)=O.CC(C)(C)OC(=O)C[C@@H](CC1CC1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.CC(C)(C)OC(=O)C[C@@H](CC1CC1)C(=O)O.CO
InChIInChI=1S/C22H29NO5.C19H30O3.C18H28O4.C12H20O4.CH4O/c1-22(2,3)28-19(24)13-17(11-16-9-10-16)20(25)23-18(14-27-21(23)26)12-15-7-5-4-6-8-15;1-7-11-19(12-8-2,17(21)22-18(4,5)6)16(14(3)20)13-15-9-10-15;1-6-10-18(11-7-2,16(21)22-17(3,4)5)14(15(19)20)12-13-8-9-13;1-12(2,3)16-10(13)7-9(11(14)15)6-8-4-5-8;1-2/h4-8,16-18H,9-14H2,1-3H3;7-8,15-16H,1-2,9-13H2,3-6H3;6-7,13-14H,1-2,8-12H2,3-5H3,(H,19,20);8-9H,4-7H2,1-3H3,(H,14,15);2H,1H3/t17-,18+;16-;14-;9-;/m1001./s1
InChIKeySBUTWSUAQRNLTF-IUOZDDOKSA-N
MW1262.67 g/mol
LogP13.99
Rot. Bonds30

About tert-butyl (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(cyclopropylmethyl)-4-oxobutanoate;tert-butyl 2-[(2R)-1-cyclopropyl-3-oxobutan-2-yl]-2-prop-2-enylpent-4-enoate;(2R)-2-(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylhex-5-enoic acid;(2R)-2-(cyclopropylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methanol

tert-butyl (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(cyclopropylmethyl)-4-oxobutanoate;tert-butyl 2-[(2R)-1-cyclopropyl-3-oxobutan-2-yl]-2-prop-2-enylpent-4-enoate;(2R)-2-(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylhex-5-enoic acid;(2R)-2-(cyclopropylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methanol (PubChem CID 90781616) has the molecular formula C72H111NO17 and a molecular weight of 1262.67 g/mol. Its IUPAC name is tert-butyl (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(cyclopropylmethyl)-4-oxobutanoate;tert-butyl 2-[(2R)-1-cyclopropyl-3-oxobutan-2-yl]-2-prop-2-enylpent-4-enoate;(2R)-2-(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylhex-5-enoic acid;(2R)-2-(cyclopropylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methanol.

Molecular Properties

Compound Nametert-butyl (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(cyclopropylmethyl)-4-oxobutanoate;tert-butyl 2-[(2R)-1-cyclopropyl-3-oxobutan-2-yl]-2-prop-2-enylpent-4-enoate;(2R)-2-(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylhex-5-enoic acid;(2R)-2-(cyclopropylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methanol
PubChem CID90781616
Molecular FormulaC72H111NO17
Molecular Weight1262.67 g/mol
Exact Mass1261.79
IUPAC Nametert-butyl (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(cyclopropylmethyl)-4-oxobutanoate;tert-butyl 2-[(2R)-1-cyclopropyl-3-oxobutan-2-yl]-2-prop-2-enylpent-4-enoate;(2R)-2-(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylhex-5-enoic acid;(2R)-2-(cyclopropylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methanol
SMILESC=CCC(CC=C)(C(=O)OC(C)(C)C)[C@@H](CC1CC1)C(=O)O.C=CCC(CC=C)(C(=O)OC(C)(C)C)[C@@H](CC1CC1)C(C)=O.CC(C)(C)OC(=O)C[C@@H](CC1CC1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.CC(C)(C)OC(=O)C[C@@H](CC1CC1)C(=O)O.CO
InChIInChI=1S/C22H29NO5.C19H30O3.C18H28O4.C12H20O4.CH4O/c1-22(2,3)28-19(24)13-17(11-16-9-10-16)20(25)23-18(14-27-21(23)26)12-15-7-5-4-6-8-15;1-7-11-19(12-8-2,17(21)22-18(4,5)6)16(14(3)20)13-15-9-10-15;1-6-10-18(11-7-2,16(21)22-17(3,4)5)14(15(19)20)12-13-8-9-13;1-12(2,3)16-10(13)7-9(11(14)15)6-8-4-5-8;1-2/h4-8,16-18H,9-14H2,1-3H3;7-8,15-16H,1-2,9-13H2,3-6H3;6-7,13-14H,1-2,8-12H2,3-5H3,(H,19,20);8-9H,4-7H2,1-3H3,(H,14,15);2H,1H3/t17-,18+;16-;14-;9-;/m1001./s1
InChIKeySBUTWSUAQRNLTF-IUOZDDOKSA-N
XLogP13.99
TPSA263.71 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds30
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001262.67
LogP ≤ 513.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(cyclopropylmethyl)-4-oxobutanoate;tert-butyl 2-[(2R)-1-cyclopropyl-3-oxobutan-2-yl]-2-prop-2-enylpent-4-enoate;(2R)-2-(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylhex-5-enoic acid;(2R)-2-(cyclopropylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(cyclopropylmethyl)-4-oxobutanoate;tert-butyl 2-[(2R)-1-cyclopropyl-3-oxobutan-2-yl]-2-prop-2-enylpent-4-enoate;(2R)-2-(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylhex-5-enoic acid;(2R)-2-(cyclopropylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methanol?
The IUPAC name of tert-butyl (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(cyclopropylmethyl)-4-oxobutanoate;tert-butyl 2-[(2R)-1-cyclopropyl-3-oxobutan-2-yl]-2-prop-2-enylpent-4-enoate;(2R)-2-(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylhex-5-enoic acid;(2R)-2-(cyclopropylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methanol (CID 90781616) is tert-butyl (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(cyclopropylmethyl)-4-oxobutanoate;tert-butyl 2-[(2R)-1-cyclopropyl-3-oxobutan-2-yl]-2-prop-2-enylpent-4-enoate;(2R)-2-(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylhex-5-enoic acid;(2R)-2-(cyclopropylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methanol.
What is the SMILES notation for tert-butyl (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(cyclopropylmethyl)-4-oxobutanoate;tert-butyl 2-[(2R)-1-cyclopropyl-3-oxobutan-2-yl]-2-prop-2-enylpent-4-enoate;(2R)-2-(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylhex-5-enoic acid;(2R)-2-(cyclopropylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methanol?
The canonical SMILES for tert-butyl (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(cyclopropylmethyl)-4-oxobutanoate;tert-butyl 2-[(2R)-1-cyclopropyl-3-oxobutan-2-yl]-2-prop-2-enylpent-4-enoate;(2R)-2-(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylhex-5-enoic acid;(2R)-2-(cyclopropylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methanol is C=CCC(CC=C)(C(=O)OC(C)(C)C)[C@@H](CC1CC1)C(=O)O.C=CCC(CC=C)(C(=O)OC(C)(C)C)[C@@H](CC1CC1)C(C)=O.CC(C)(C)OC(=O)C[C@@H](CC1CC1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.CC(C)(C)OC(=O)C[C@@H](CC1CC1)C(=O)O.CO.
What is the InChIKey of tert-butyl (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(cyclopropylmethyl)-4-oxobutanoate;tert-butyl 2-[(2R)-1-cyclopropyl-3-oxobutan-2-yl]-2-prop-2-enylpent-4-enoate;(2R)-2-(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylhex-5-enoic acid;(2R)-2-(cyclopropylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methanol?
The InChIKey is SBUTWSUAQRNLTF-IUOZDDOKSA-N. The full InChI is InChI=1S/C22H29NO5.C19H30O3.C18H28O4.C12H20O4.CH4O/c1-22(2,3)28-19(24)13-17(11-16-9-10-16)20(25)23-18(14-27-21(23)26)12-15-7-5-4-6-8-15;1-7-11-19(12-8-2,17(21)22-18(4,5)6)16(14(3)20)13-15-9-10-15;1-6-10-18(11-7-2,16(21)22-17(3,4)5)14(15(19)20)12-13-8-9-13;1-12(2,3)16-10(13)7-9(11(14)15)6-8-4-5-8;1-2/h4-8,16-18H,9-14H2,1-3H3;7-8,15-16H,1-2,9-13H2,3-6H3;6-7,13-14H,1-2,8-12H2,3-5H3,(H,19,20);8-9H,4-7H2,1-3H3,(H,14,15);2H,1H3/t17-,18+;16-;14-;9-;/m1001./s1.
What are the key properties of tert-butyl (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(cyclopropylmethyl)-4-oxobutanoate;tert-butyl 2-[(2R)-1-cyclopropyl-3-oxobutan-2-yl]-2-prop-2-enylpent-4-enoate;(2R)-2-(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylhex-5-enoic acid;(2R)-2-(cyclopropylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methanol?
tert-butyl (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(cyclopropylmethyl)-4-oxobutanoate;tert-butyl 2-[(2R)-1-cyclopropyl-3-oxobutan-2-yl]-2-prop-2-enylpent-4-enoate;(2R)-2-(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylhex-5-enoic acid;(2R)-2-(cyclopropylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methanol has a molecular weight of 1262.67 g/mol, XLogP of 13.99, 30 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(cyclopropylmethyl)-4-oxobutanoate;tert-butyl 2-[(2R)-1-cyclopropyl-3-oxobutan-2-yl]-2-prop-2-enylpent-4-enoate;(2R)-2-(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-prop-2-enylhex-5-enoic acid;(2R)-2-(cyclopropylmethyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;methanol is sourced from PubChem (CID 90781616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).