(2R)-2-(cyclohexylmethyl)-3-[(4S,5S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)-1,3-oxazolidin-5-yl]propanoic acid

C24H43NO5 — CID 67908609

IUPAC(2R)-2-(cyclohexylmethyl)-3-[(4S,5S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)-1,3-oxazolidin-5-yl]propanoic acid
SMILESCC(C)C[C@H]1[C@H](C[C@@H](CC2CCCCC2)C(=O)O)OC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C24H43NO5/c1-16(2)13-19-20(15-18(21(26)27)14-17-11-9-8-10-12-17)29-24(6,7)25(19)22(28)30-23(3,4)5/h16-20H,8-15H2,1-7H3,(H,26,27)/t18-,19+,20+/m1/s1
InChIKeyYYSYEDQHKHLDDL-AABGKKOBSA-N
MW425.61 g/mol
LogP5.83
Rot. Bonds7

About (2R)-2-(cyclohexylmethyl)-3-[(4S,5S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)-1,3-oxazolidin-5-yl]propanoic acid

(2R)-2-(cyclohexylmethyl)-3-[(4S,5S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)-1,3-oxazolidin-5-yl]propanoic acid (PubChem CID 67908609) has the molecular formula C24H43NO5 and a molecular weight of 425.61 g/mol. Its IUPAC name is (2R)-2-(cyclohexylmethyl)-3-[(4S,5S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)-1,3-oxazolidin-5-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-(cyclohexylmethyl)-3-[(4S,5S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)-1,3-oxazolidin-5-yl]propanoic acid
PubChem CID67908609
Molecular FormulaC24H43NO5
Molecular Weight425.61 g/mol
Exact Mass425.31
IUPAC Name(2R)-2-(cyclohexylmethyl)-3-[(4S,5S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)-1,3-oxazolidin-5-yl]propanoic acid
SMILESCC(C)C[C@H]1[C@H](C[C@@H](CC2CCCCC2)C(=O)O)OC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C24H43NO5/c1-16(2)13-19-20(15-18(21(26)27)14-17-11-9-8-10-12-17)29-24(6,7)25(19)22(28)30-23(3,4)5/h16-20H,8-15H2,1-7H3,(H,26,27)/t18-,19+,20+/m1/s1
InChIKeyYYSYEDQHKHLDDL-AABGKKOBSA-N
XLogP5.83
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.61
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(cyclohexylmethyl)-3-[(4S,5S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)-1,3-oxazolidin-5-yl]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclohexylmethyl)-3-[(4S,5S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)-1,3-oxazolidin-5-yl]propanoic acid?
The IUPAC name of (2R)-2-(cyclohexylmethyl)-3-[(4S,5S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)-1,3-oxazolidin-5-yl]propanoic acid (CID 67908609) is (2R)-2-(cyclohexylmethyl)-3-[(4S,5S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)-1,3-oxazolidin-5-yl]propanoic acid.
What is the SMILES notation for (2R)-2-(cyclohexylmethyl)-3-[(4S,5S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)-1,3-oxazolidin-5-yl]propanoic acid?
The canonical SMILES for (2R)-2-(cyclohexylmethyl)-3-[(4S,5S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)-1,3-oxazolidin-5-yl]propanoic acid is CC(C)C[C@H]1[C@H](C[C@@H](CC2CCCCC2)C(=O)O)OC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of (2R)-2-(cyclohexylmethyl)-3-[(4S,5S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)-1,3-oxazolidin-5-yl]propanoic acid?
The InChIKey is YYSYEDQHKHLDDL-AABGKKOBSA-N. The full InChI is InChI=1S/C24H43NO5/c1-16(2)13-19-20(15-18(21(26)27)14-17-11-9-8-10-12-17)29-24(6,7)25(19)22(28)30-23(3,4)5/h16-20H,8-15H2,1-7H3,(H,26,27)/t18-,19+,20+/m1/s1.
What are the key properties of (2R)-2-(cyclohexylmethyl)-3-[(4S,5S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)-1,3-oxazolidin-5-yl]propanoic acid?
(2R)-2-(cyclohexylmethyl)-3-[(4S,5S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)-1,3-oxazolidin-5-yl]propanoic acid has a molecular weight of 425.61 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclohexylmethyl)-3-[(4S,5S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)-1,3-oxazolidin-5-yl]propanoic acid is sourced from PubChem (CID 67908609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).