(Z)-6-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]hex-5-enoic acid

C16H27NO5 — CID 11109786

IUPAC(Z)-6-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]hex-5-enoic acid
SMILESCC(C)(C)OC(=O)N1[C@H](/C=C\CCCC(=O)O)COC1(C)C
InChIInChI=1S/C16H27NO5/c1-15(2,3)22-14(20)17-12(11-21-16(17,4)5)9-7-6-8-10-13(18)19/h7,9,12H,6,8,10-11H2,1-5H3,(H,18,19)/b9-7-/t12-/m1/s1
InChIKeySFAGUYIHAXJARV-ZVTBTPLYSA-N
MW313.39 g/mol
LogP3.17
Rot. Bonds5

About (Z)-6-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]hex-5-enoic acid

(Z)-6-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]hex-5-enoic acid (PubChem CID 11109786) has the molecular formula C16H27NO5 and a molecular weight of 313.39 g/mol. Its IUPAC name is (Z)-6-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]hex-5-enoic acid.

Molecular Properties

Compound Name(Z)-6-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]hex-5-enoic acid
PubChem CID11109786
Molecular FormulaC16H27NO5
Molecular Weight313.39 g/mol
Exact Mass313.19
IUPAC Name(Z)-6-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]hex-5-enoic acid
SMILESCC(C)(C)OC(=O)N1[C@H](/C=C\CCCC(=O)O)COC1(C)C
InChIInChI=1S/C16H27NO5/c1-15(2,3)22-14(20)17-12(11-21-16(17,4)5)9-7-6-8-10-13(18)19/h7,9,12H,6,8,10-11H2,1-5H3,(H,18,19)/b9-7-/t12-/m1/s1
InChIKeySFAGUYIHAXJARV-ZVTBTPLYSA-N
XLogP3.17
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-6-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]hex-5-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[(E)-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14660983
tert-butyl (4R)-2,2-dimethyl-4-(7-trimethylsilylhept-1-en-6-ynyl)-1,3-oxazolidine-3-carboxylate
CID 91358123
(E)-3-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]prop-2-enoic acid
CID 71040825
tert-butyl (4S)-4-[(Z)-2-fluoroethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15319101
tert-butyl (4R)-4-[(Z)-hydroxyiminomethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 100921699
tert-butyl (4R)-4-(5-bromo-2-methylpent-1-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67918992
CID 157062241
CID 157062241
3-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]propanoic acid
CID 10635974
tert-butyl (4R)-2,2-dimethyl-4-[(Z)-3-(tributylstannylmethoxy)prop-1-enyl]-1,3-oxazolidine-3-carboxylate
CID 14660993
tert-butyl (4S)-4-(3-hydroxy-2-methylprop-1-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 91132840
CID 58879223
CID 58879223
tert-butyl (4R)-4-[(Z)-3-bromo-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 638993

Frequently Asked Questions

What is the IUPAC name of (Z)-6-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]hex-5-enoic acid?
The IUPAC name of (Z)-6-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]hex-5-enoic acid (CID 11109786) is (Z)-6-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]hex-5-enoic acid.
What is the SMILES notation for (Z)-6-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]hex-5-enoic acid?
The canonical SMILES for (Z)-6-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]hex-5-enoic acid is CC(C)(C)OC(=O)N1[C@H](/C=C\CCCC(=O)O)COC1(C)C.
What is the InChIKey of (Z)-6-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]hex-5-enoic acid?
The InChIKey is SFAGUYIHAXJARV-ZVTBTPLYSA-N. The full InChI is InChI=1S/C16H27NO5/c1-15(2,3)22-14(20)17-12(11-21-16(17,4)5)9-7-6-8-10-13(18)19/h7,9,12H,6,8,10-11H2,1-5H3,(H,18,19)/b9-7-/t12-/m1/s1.
What are the key properties of (Z)-6-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]hex-5-enoic acid?
(Z)-6-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]hex-5-enoic acid has a molecular weight of 313.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]hex-5-enoic acid is sourced from PubChem (CID 11109786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).